%%% -*-BibTeX-*- %%% ==================================================================== %%% BibTeX-file{ %%% author = "Nelson H. F. Beebe", %%% version = "2.19", %%% date = "08 November 2023", %%% time = "10:46:51 MST", %%% filename = "ijqc1980.bib", %%% address = "University of Utah %%% Department of Mathematics, 110 LCB %%% 155 S 1400 E RM 233 %%% Salt Lake City, UT 84112-0090 %%% USA", %%% telephone = "+1 801 581 5254", %%% FAX = "+1 801 581 4148", %%% URL = "https://www.math.utah.edu/~beebe", %%% checksum = "14354 77232 307029 3044496", %%% email = "beebe at math.utah.edu, beebe at acm.org, %%% beebe at computer.org (Internet)", %%% codetable = "ISO/ASCII", %%% keywords = "bibliography, BibTeX, International Journal %%% of Quantum Chemistry, IJQC", %%% license = "public domain", %%% supported = "no", %%% docstring = "This is a COMPLETE bibliography of %%% publications in the International Journal of %%% Quantum Chemistry (CODEN IJQCB2, ISSN %%% 0020-7608 (print), 1097-461X (electronic)), %%% published by John Wiley and Sons, Inc, for %%% the years 1980--1989. Companion %%% bibliographies, ijqc1960.bib %%% ... ijqc2010.bib, cover other decades. %%% %%% The publisher maintains a World-Wide Web site %%% for the journal at %%% %%% http://www.interscience.wiley.com/jpages/0020-7608/ %%% %%% ############################################# %%% # This bibliography is dedicated to the # %%% # memory of Per-Olov Lowdin, 28 October # %%% # 1916 -- 6 October 2000. # %%% # # %%% # Per-Olov was an outstanding teacher and # %%% # researcher, founder of the Uppsala Summer # %%% # School and Florida Winter School in # %%% # Quantum Chemistry (attended by thousands # %%% # of scientists from scores of countries), # %%% # founder of the Sanibel Conferences in # %%% # Quantum Chemistry and Quantum Biology (he # %%% # attended the 40th in March 2000), founder # %%% # and Editor-in-Chief of the International # %%% # Journal of Quantum Chemistry, and founder # %%% # and Editor-in-Chief of the Academic Press # %%% # book series, Advances in Quantum # %%% # Chemistry, fondly known to many of us as # %%% # Adventures in .... :^) # %%% # # %%% # Per-Olov was an inspiring role model to a # %%% # great many people, and was also my thesis # %%% # co-advisor. We miss him, and we thank # %%% # him. # %%% ############################################# %%% %%% At version 2.19, the complete year coverage %%% looked like this: %%% %%% 1964 ( 1) 1978 ( 2) 1992 ( 1) %%% 1965 ( 0) 1979 ( 8) 1993 ( 1) %%% 1966 ( 0) 1980 ( 401) 1994 ( 0) %%% 1967 ( 0) 1981 ( 351) 1995 ( 0) %%% 1968 ( 0) 1982 ( 315) 1996 ( 0) %%% 1969 ( 1) 1983 ( 359) 1997 ( 0) %%% 1970 ( 0) 1984 ( 279) 1998 ( 1) %%% 1971 ( 1) 1985 ( 248) 1999 ( 0) %%% 1972 ( 0) 1986 ( 367) 2000 ( 1) %%% 1973 ( 0) 1987 ( 278) 2001 ( 0) %%% 1974 ( 0) 1988 ( 223) 2002 ( 1) %%% 1975 ( 0) 1989 ( 264) 2003 ( 0) %%% 1976 ( 0) 1990 ( 1) 2004 ( 0) %%% 1977 ( 0) 1991 ( 2) 2005 ( 1) %%% %%% Article: 3040 %%% Book: 54 %%% Proceedings: 13 %%% %%% Total entries: 3107 %%% %%% In this bibliography, entries are sorted %%% first by ascending year, and within each %%% year, alphabetically by author or editor, %%% and then, if necessary, by the 3-letter %%% abbreviation at the end of the BibTeX %%% citation tag, using the bibsort -byyear %%% utility. Year order has been chosen to make %%% it easier to identify the most recent work. %%% %%% The checksum field above contains a CRC-16 %%% checksum as the first value, followed by the %%% equivalent of the standard UNIX wc (word %%% count) utility output of lines, words, and %%% characters. This is produced by Robert %%% Solovay's checksum utility.", %%% } %%% ==================================================================== @Preamble{"\input ijqc.sty" # "\ifx \undefined \booktitle \def \booktitle#1{{{\em #1}}} \fi" # "\ifx \undefined \ocirc \def \ocirc #1{{\accent'27#1}}\fi" } %%% ==================================================================== %%% Acknowledgement abbreviations: @String{ack-nhfb = "Nelson H. F. Beebe, University of Utah, Department of Mathematics, 110 LCB, 155 S 1400 E RM 233, Salt Lake City, UT 84112-0090, USA, Tel: +1 801 581 5254, FAX: +1 801 581 4148, e-mail: \path|beebe@math.utah.edu|, \path|beebe@acm.org|, \path|beebe@computer.org| (Internet), URL: \path|https://www.math.utah.edu/~beebe/|"} %%% ==================================================================== %%% Journal abbreviations: @String{j-IJQC = "International Journal of Quantum Chemistry"} %%% ==================================================================== %%% Publisher abbreviations: @String{pub-ACADEMIC = "Academic Press"} @String{pub-ACADEMIC:adr = "New York, USA"} @String{pub-AKADEMIE-VERLAG = "Akademie-Verlag"} @String{pub-AKADEMIE-VERLAG:adr = "Berlin, Germany"} @String{pub-BENCUM = "Benjamin\slash Cummings Pub. Co."} @String{pub-BENCUM:adr = "Menlo Park, CA, USA"} @String{pub-BENJAMIN = "W. A. {Benjamin, Inc.}"} @String{pub-BENJAMIN:adr = "New York, NY, USA"} @String{pub-BUTTERWORTHS = "Butterworths"} @String{pub-BUTTERWORTHS:adr = "London, UK"} @String{pub-CLARENDON = "Clarendon Press"} @String{pub-CLARENDON:adr = "New York, NY, USA"} @String{pub-DOVER = "Dover Publications, Inc."} @String{pub-DOVER:adr = "New York, NY, USA"} @String{pub-ELLIS-HORWOOD = "Ellis Horwood"} @String{pub-ELLIS-HORWOOD:adr = "New York, NY, USA"} @String{pub-ELSEVIER = "Elsevier"} @String{pub-ELSEVIER:adr = "Amsterdam, The Netherlands"} @String{pub-KLUWER = "Kluwer Academic Publishers"} @String{pub-KLUWER:adr = "Norwell, MA, USA, and Dordrecht, The Netherlands"} @String{pub-MCGRAW-HILL = "Mc{\-}Graw-Hill"} @String{pub-MCGRAW-HILL:adr = "New York, NY, USA"} @String{pub-OXFORD = "Oxford University Press"} @String{pub-OXFORD:adr = "Walton Street, Oxford OX2 6DP, UK"} @String{pub-PH = "Pren{\-}tice-Hall"} @String{pub-PH:adr = "Upper Saddle River, NJ 07458, USA"} @String{pub-PLENUM = "Plenum Press"} @String{pub-PLENUM:adr = "New York, NY, USA; London, UK"} @String{pub-R-E-KRIEGER = "Robert E. Krieger Publishing Company"} @String{pub-R-E-KRIEGER:adr = "Huntington, NY, USA"} @String{pub-REIDEL = "D. Reidel"} @String{pub-REIDEL:adr = "Dordrecht, Boston, Lancaster, Tokyo"} @String{pub-SV = "Springer-Verlag"} @String{pub-SV:adr = "Berlin, Germany~/ Heidelberg, Germany~/ London, UK~/ etc."} @String{pub-WILEY = "John Wiley"} @String{pub-WILEY:adr = "New York, NY, USA"} %%% ==================================================================== %%% Bibliography entries, sorted in publication order: @Article{Belinfante:1980:DMF, author = "Frederik J. Belinfante", title = "Density matrix formulation of quantum theory and its physical interpretation", journal = j-IJQC, volume = "17", number = "1", pages = "1--24", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Girardeau:1980:SQC, author = "M. D. Girardeau", title = "Second quantization for composite particles, reactive collisions, and unstable particles", journal = j-IJQC, volume = "17", number = "1", pages = "25--35", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Recami:1980:ELN, author = "E. Recami", title = "Explaining the ``large numbers'' via a unified (classical) theory of strong and gravitational interactions", journal = j-IJQC, volume = "17", number = "1", pages = "37--40", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jackiw:1980:TDV, author = "R. Jackiw", title = "Time-dependent variational principle in quantum field theory", journal = j-IJQC, volume = "17", number = "1", pages = "41--46", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Broyles:1980:CMO, author = "A. A. Broyles", title = "Coordinate measurements and operators", journal = j-IJQC, volume = "17", number = "1", pages = "47--74", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fusco-Girard:1980:QFT, author = "M. Fusco-Girard and F. Mancini and M. Marinaro", title = "Quantum-field theory and electrodynamics of superconducting systems", journal = j-IJQC, volume = "17", number = "1", pages = "75--82", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jasselette:1980:IPD, author = "P. Jasselette", title = "Interventions in the panel discussion on measurement process and interpretation of quantum mechanics", journal = j-IJQC, volume = "17", number = "1", pages = "83--84", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chow:1980:FBS, author = "Yutze Chow", title = "Fiber bundles, sheaf theory, and generalization of differentiable manifolds in physics", journal = j-IJQC, volume = "17", number = "1", pages = "85--97", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ingolfsson:1980:NAS, author = "K. Ing{\'o}lfsson", title = "Notes on asymptotic series by {H$^0$}-strictly singular perturbations", journal = j-IJQC, volume = "17", number = "1", pages = "99--106", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Emch:1980:IDA, author = "G{\'e}rard G. Emch", title = "Irreversibility, decay, and asymptotic dynamics", journal = j-IJQC, volume = "17", number = "1", pages = "107--120", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Green:1980:SDM, author = "H. S. Green", title = "Semigroups and the density matrix formulation of quantum mechanics", journal = j-IJQC, volume = "17", number = "1", pages = "121--132", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hunter:1980:NWF, author = "Geoffrey Hunter", title = "Nodeless wave function quantum theory", journal = j-IJQC, volume = "17", number = "1", pages = "133--137", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Halpern:1980:CLN, author = "Francis R. Halpern", title = "Classical limit of a nonseparable problem with exchange: {Comparison} of classical and quantum mechanics", journal = j-IJQC, volume = "17", number = "1", pages = "139--143", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Claverie:1980:SRC, author = "Pierre Claverie", title = "Some remarks concerning the simulation of stochastic processes on digital computers", journal = j-IJQC, volume = "17", number = "1", pages = "145--148", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goscinski:1980:BRB, author = "Osvaldo Goscinski", title = "Book Review: {{\booktitle{Excited states in quantum chemistry}}. Edited by Cleantes Nicolaides and D. R. Beck. D. Reidel Publishing Co., Dordrecht, 1979. 576 pp. Price: \$59.00}", journal = j-IJQC, volume = "17", number = "1", pages = "149--149", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Nicolaides:1979:ESQ}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:AS, author = "Anonymous", title = "{ACS} symposium", journal = j-IJQC, volume = "17", number = "1", pages = "151--151", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "17", number = "1", pages = "fmi--fmii", month = jan, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duprez-Quesnoit:1980:DIMa, author = "C. Duprez-Quesnoit and J. Tillieu", title = "Definition of invariant molecular tensors in an origin change. {I}. {General} formalism", journal = j-IJQC, volume = "17", number = "2", pages = "155--167", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duprez-Quesnoit:1980:DIMb, author = "C. Duprez-Quesnoit", title = "Definition of invariant molecular tensors in an origin change. {II}. {Refraction} and {Faraday} effect", journal = j-IJQC, volume = "17", number = "2", pages = "169--179", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Macias:1980:UMP, author = "A. Mac{\'\i}as and A. Riera", title = "Use of molecular properties in the one-dimensional model of nonadiabatic transitions", journal = j-IJQC, volume = "17", number = "2", pages = "181--194", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hubac:1980:CEP, author = "Ivan Huba{\v{c}}", title = "Comments on the exclusion-principle-violating diagrams cancellation in correlations energy calculation by many-body {Rayleigh--Schr{\"o}dinger} perturbation theory", journal = j-IJQC, volume = "17", number = "2", pages = "195--209", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Douady:1980:PCI, author = "J. Douady and V. Barone and Y. Ellinger and R. Subra", title = "Perturbative configuration interaction using localized orbitals in the {INDO} hypothesis. {I}. {Theory} and applications to energetical problems", journal = j-IJQC, volume = "17", number = "2", pages = "211--233", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fabian:1980:AIE, author = "J. Fabian and A. Mehlhorn and F. Fratev", title = "Approaches for interpreting $\pi$ electronic states and $\pi$ electronic transitions", journal = j-IJQC, volume = "17", number = "2", pages = "235--253", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gyemant:1980:REE, author = "I. Gyemant and Zs. Varga and M. G. Benedict", title = "Resonances in the elastic {electron-SF$_6$} molecule scattering", journal = j-IJQC, volume = "17", number = "2", pages = "255--263", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ananchenkov:1980:REB, author = "V. I. Ananchenkov and V. B. Leontyev", title = "Realization of the elementary biological function as a localized electron subsystem interaction process", journal = j-IJQC, volume = "17", number = "2", pages = "265--272", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kovarskii:1980:EMN, author = "V. A. Kovarskii and I. A. Chaikovskii and E. A. Popov", title = "Electron mechanism of nonequilibrium molecular vibration excitation in biological systems", journal = j-IJQC, volume = "17", number = "2", pages = "273--283", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Basilevsky:1980:MNM, author = "M. V. Basilevsky and A. G. Shamov", title = "Modification of the {NDO} model in semiempirical {MO} theory", journal = j-IJQC, volume = "17", number = "2", pages = "285--292", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Geller:1980:EPA, author = "M. Geller and B. Lesyng and A. Pohorille", title = "Energy of planar autoassociation of xanthine and spatial structure of poly(riboxanthylic acid)", journal = j-IJQC, volume = "17", number = "2", pages = "293--298", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vitkovskaya:1980:QCI, author = "N. M. Vitkovskaya and V. B. Mantsivoda and T. E. Moskovskaya and M. G. Voronkov", title = "Quantum-chemical investigation of the silicon and carbon coordination bond in their isostructural compounds", journal = j-IJQC, volume = "17", number = "2", pages = "299--305", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Danilov:1980:EAE, author = "V. I. Danilov and V. I. Pechenaya and N. V. Zheltovsky", title = "Electronic absorption and emission spectra of nucleic acids and their components: {Some} questions of theory and experiment", journal = j-IJQC, volume = "17", number = "2", pages = "307--320", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{IlIcheva:1980:CSD, author = "I. A. Il'Icheva and V. G. Tumanyan and A. E. Kister and V. G. Dashevsky", title = "Conformational studies of double-helical polynucleotides by the method of pair-wise potential functions", journal = j-IJQC, volume = "17", number = "2", pages = "321--326", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rossikhin:1980:DPE, author = "V. V. Rossikhin and E. O. Voronkov and Yu. A. Kruglyak", title = "Determination of potential-energy surface of molecules in an applied field on the basis of virial relations", journal = j-IJQC, volume = "17", number = "2", pages = "327--338", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sukhorukov:1980:ISO, author = "B. I. Sukhorukov and I. Ya. Gukovsky and A. I. Petrov and A. S. Gukovskaya and A. A. Mayevsky and N. M. Gusenkova", title = "Interactions and self-organization of nucleic bases, nucleotides, and polynucleotides into ordered structures. {Effect} of ionization and solvent salt composition", journal = j-IJQC, volume = "17", number = "2", pages = "339--359", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yasnikov:1980:HPP, author = "A. A. Yasnikov and N. V. Volkova and N. P. Kanivets and L. S. Mushketik and L. I. Vasilenok and V. P. Kukhar' and A. F. Pavlenko", title = "Hydrophobic ``pocket'' on photosynthesizing membrane near photosystem {II}", journal = j-IJQC, volume = "17", number = "2", pages = "361--366", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Minaev:1980:ISF, author = "B. F. Minaev", title = "Intensities of spin-forbidden transitions in molecular oxygen and selective heavy-atom effects", journal = j-IJQC, volume = "17", number = "2", pages = "367--374", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170219", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "17", number = "2", pages = "fmi--fmii", month = feb, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Clementi:1980:NIW, author = "E. Clementi and W. Ko{\l}os and G. C. Lie and G. Ranghino", title = "Nonadditivity of interaction in water trimers", journal = j-IJQC, volume = "17", number = "3", pages = "377--398", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Basilevsky:1980:VRQ, author = "M. V. Basilevsky and N. N. Weinberg", title = "On the validity range of the qualitative theory of chemical reactivity", journal = j-IJQC, volume = "17", number = "3", pages = "399--413", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klimko:1980:FCF, author = "G. T. Klimko and M. M. Mestechkin and G. E. Whyman", title = "{Fock} coordinate function method for separation of spin variables in transition density matrices", journal = j-IJQC, volume = "17", number = "3", pages = "415--428", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kolos:1980:IMM, author = "W. Ko{\l}os and G. Ranghino and E. Clementi and O. Novaro", title = "Interaction of methane molecules", journal = j-IJQC, volume = "17", number = "3", pages = "429--448", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dalgaard:1980:VPT, author = "Esper Dalgaard", title = "Variation principle for the time dependence of density operators and its relation to linear decoupling procedures for propagators", journal = j-IJQC, volume = "17", number = "3", pages = "449--458", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{LiberatoDeBrito:1980:TUI, author = "Adelsindo {Liberato De Brito} and Tomas P. Eggarter", title = "Two useful identities involving spherical harmonics", journal = j-IJQC, volume = "17", number = "3", pages = "459--465", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ransil:1980:HGG, author = "Bernard J. Ransil", title = "How good is good agreement: {Evaluating} the reliability of quantum-mechanically calculated observables", journal = j-IJQC, volume = "17", number = "3", pages = "467--478", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Waltz:1980:CME, author = "Carl E. Waltz and Hae-Won Kim and Hendrik F. Hameka", title = "Calculation of molecular electric polarizabilities and dipole moments. {III}. {BH} molecule", journal = j-IJQC, volume = "17", number = "3", pages = "479--483", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roos:1980:DCM, author = "Bj{\"o}rn O. Roos and Per E. M. Siegbahn", title = "A direct {CI} method with a multiconfigurational reference state", journal = j-IJQC, volume = "17", number = "3", pages = "485--500", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pisani:1980:EEH, author = "C. Pisani and R. Dovesi", title = "Exact-exchange {Hartree--Fock} calculations for periodic systems. {I}. {Illustration} of the method", journal = j-IJQC, volume = "17", number = "3", pages = "501--516", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dovesi:1980:EEH, author = "R. Dovesi and C. Pisani and C. Roetti", title = "Exact-exchange {Hartree--Fock} calculations for periodic systems. {II}. {Results} for graphite and hexagonal boron nitride", journal = j-IJQC, volume = "17", number = "3", pages = "517--529", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smet:1980:EHF, author = "F. Smet and J. Tillieu and Et. A. {Van Groenendael}", title = "Equations de {Hartree--Fock} dependant du temps", journal = j-IJQC, volume = "17", number = "3", pages = "531--547", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1980:REV, author = "Milan Randi{\'c}", title = "Resonance energy of very large benzenoid hydrocarbons", journal = j-IJQC, volume = "17", number = "3", pages = "549--586", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rubin:1980:PEP, author = "A. B. Rubin and A. A. Kononenko and P. S. Venediktov and Galina P. Borisevitch and P. P. Knox and E. P. Lukashev", title = "Polarization effects in photosynthetic membranes", journal = j-IJQC, volume = "17", number = "3", pages = "587--593", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maartensson:1980:BRB, author = "Olle M{\aa}rtensson", title = "Book Review: {{\booktitle{Dielectric and electronic properties of biological materials}}. R. Pethig. John Wiley \& Sons, New York, 1979. 376 pp. Price: \$15.00 (cloth)}", journal = j-IJQC, volume = "17", number = "3", pages = "595--595", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Pethig:1979:DEP}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:BR, author = "Anonymous", title = "Books {Received}", journal = j-IJQC, volume = "17", number = "3", pages = "596--596", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "17", number = "3", pages = "fmi--fmii", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{George:1980:OEE, author = "Philip George and Mendel Trachtman and Charles W. Bock", title = "$\pi$-Orbital electron--energy contributions to chemical reaction heats, {I}. {Reactions} involving only linear molecules containing up to three first--row atoms", journal = j-IJQC, volume = "17", number = "4", pages = "599--608", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1980:FAI, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Further analysis of the iterative hypervirial-scaling method", journal = j-IJQC, volume = "17", number = "4", pages = "609--618", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ho:1980:SPC, author = "Fat D. Ho and Frank C. Sanders", title = "Study of pair correlation in three-electron atoms", journal = j-IJQC, volume = "17", number = "4", pages = "619--629", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{TenHoor:1980:NHG, author = "Marten J. {Ten Hoor}", title = "Notes on hydrogenic {Gaussian} lobe functions", journal = j-IJQC, volume = "17", number = "4", pages = "631--642", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yousif:1980:SOD, author = "F. N. Yousif and G. C. Shukla", title = "Second-order dispersion energy between interacting hydrogen pairs by using the {Borel} integral", journal = j-IJQC, volume = "17", number = "4", pages = "643--650", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{vanDuijnen:1980:ASH, author = "P. Th. van Duijnen and B. Th. Thole and Ria Broer and W. C. Nieuwpoort", title = "Active-site $\alpha$-helix in papain and the stability of the ion pair {RS$^-$\dottedbond{}ImH$^+$}. {Ab} initio molecular orbital study", journal = j-IJQC, volume = "17", number = "4", pages = "651--671", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Easa:1980:DMP, author = "S. I. Easa and G. C. Shukla", title = "Dynamic multipole polarizabilities of atomic systems", journal = j-IJQC, volume = "17", number = "4", pages = "673--678", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zaitsevskii:1980:PGO, author = "A. V. Zaitsevskii and A. V. Nemukhin and N. F. Stepanov", title = "Possible generalization of the optimized diatomics-in molecules theory: {Further} studies of the diatomic state mixing parameter adjustment", journal = j-IJQC, volume = "17", number = "4", pages = "679--687", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harriman:1980:UHS, author = "John E. Harriman", title = "Use of the {Hiller--Sucher--Feinberg} identity for spin-density calculations", journal = j-IJQC, volume = "17", number = "4", pages = "689--695", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bulski:1980:DNB, author = "T. Bulski and S. Olszewski and A. Wierzbicki", title = "Density of non-{Bloch} electron states in perfect cubic crystals", journal = j-IJQC, volume = "17", number = "4", pages = "697--718", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larsson:1980:ICE, author = "S. Larsson and P. Corr{\^e}a de Mello and M. Hehenberger", title = "Ab initio calculation of {ESCA} satellite intensities for a copper--chlorine complex", journal = j-IJQC, volume = "17", number = "4", pages = "719--724", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carbo:1980:STM, author = "R. Carb{\'o} and Ll. Domingo and J. Gregori", title = "{SCF} {Theory} of multiplet states", journal = j-IJQC, volume = "17", number = "4", pages = "725--736", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1980:VPO, author = "P. Csavinszky and C. E. Tarr and F. Vosman", title = "Variational principle for obtaining approximate analytical solutions of the temperature-perturbed {Thomas--Fermi} equation for compressed atoms", journal = j-IJQC, volume = "17", number = "4", pages = "737--745", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Graovac:1980:SOM, author = "Ante Graovac and Kre{\v{s}}imir Kova{\v{c}}evi{\'c} and Zvonimir B. Maksi and Ahmet Veseli", title = "Slater-orbital molecular integrals by numerical {Fourier}-transform methods. {II}. {Four}-center integrals over is orbitals", journal = j-IJQC, volume = "17", number = "4", pages = "747--757", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cooper:1980:ECE, author = "Ian L. Cooper and Christopher N. M. Pounder", title = "Electron correlation effects in {SCF} + {CI} wave functions---{Fermi} and {Coulomb} correlation holes in {HCN}", journal = j-IJQC, volume = "17", number = "4", pages = "759--774", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kolos:1980:TSS, author = "W. Ko{\l}os and G. Corongiu and E. Clementi", title = "Theoretical study of some {van der Waals} molecules", journal = j-IJQC, volume = "17", number = "4", pages = "775--798", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adawi:1980:BED, author = "I. Adawi", title = "Behavior of the electron density near an impurity", journal = j-IJQC, volume = "17", number = "4", pages = "799--801", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Borodavkin:1980:AUS, author = "A. V. Borodavkin and V. O. Chekhov and Yu. S. Dolin and Yu. V. Morozov and F. A. Savin and E. I. Budowsky and D. Yu. Yakovlev", title = "Absorption {UV} spectroscopy and electronic structure of ionic and tautomeric forms of hydroxy and methoxy derivatives of cytosine and adenine, and of some 5-substituted analogs of pyrimidines", journal = j-IJQC, volume = "17", number = "4", pages = "803--811", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170419", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Polivtsev:1980:ITS, author = "O. F. Polivtsev and V. D. Osika and D. Ya. Tsvankin", title = "Investigation of tertiary structure of a series of {DNA} compact forms by the small-angle {X}-ray scattering method", journal = j-IJQC, volume = "17", number = "4", pages = "813--817", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170420", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "17", number = "4", pages = "fmi--fmii", month = apr, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abdul-Ahad:1980:QSA, author = "P. G. Abdul-Ahad and T. Blair and G. A. Webb", title = "Quantitative structure--activity study of some enzyme-inhibitory quinazolines", journal = j-IJQC, volume = "17", number = "5", pages = "821--831", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yusaf:1980:AFA, author = "M. S. Yusaf and G. P. Lawes and N. H. March", title = "Asymptotic forms of atomic scattering factors and momentum densities", journal = j-IJQC, volume = "17", number = "5", pages = "833--844", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonchev:1980:TCC, author = "D. Bonchev and Ov. Mekenyan and N. Trinajsti{\'c}", title = "Topological characterization of cyclic structures", journal = j-IJQC, volume = "17", number = "5", pages = "845--893", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{McDowell:1980:IBS, author = "Keith McDowell", title = "Incomplete basis set problem. {IV}. {Perturbative} corrections to pair energies", journal = j-IJQC, volume = "17", number = "5", pages = "895--905", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhargava:1980:FSG, author = "Shobha Bhargava and N. K. Ray", title = "Floating spherical {Gaussian} orbital model study of some hydrogen-bridged systems: {LiBeH$_3$}, {LiBH$_4$}, {LiCH$_5$}, and {BeBH$_5$}", journal = j-IJQC, volume = "17", number = "5", pages = "907--914", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Story:1980:GAC, author = "Troy L. Story", title = "Global analysis of composite particles", journal = j-IJQC, volume = "17", number = "5", pages = "915--930", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Requena:1980:ELP, author = "A. Requena and R. Pe{\~n}a and A. Serna", title = "Energy levels for perturbed {Morse} oscillators", journal = j-IJQC, volume = "17", number = "5", pages = "931--942", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mohammad:1980:HAWa, author = "S. Noor Mohammad", title = "High accuracy wave functions and eigenenergies for vibration--rotation states of diatomic molecules", journal = j-IJQC, volume = "17", number = "5", pages = "943--954", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seger:1980:ATD, author = "G. Seger and E. Kochanski", title = "Approximate theoretical determination of molecular static polarizabilities", journal = j-IJQC, volume = "17", number = "5", pages = "955--968", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Trsic:1980:IHF, author = "M. Trsic and W. G. Laidlaw", title = "Ab initio {Hartree--Fock--Slater} calculations of polysulfanes {H$_2$S$_n$} ($n = 1{\rm --}4$) and the ions {HS} and {S}", journal = j-IJQC, volume = "17", number = "5", pages = "969--974", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nyden:1980:PCG, author = "Marc R. Nyden and G. A. Petersson", title = "Pairwise correlated generalized valence bond model of electronic structure. {VII}. {The} b$^3{\Sigma}$ state of {H$_2$}", journal = j-IJQC, volume = "17", number = "5", pages = "975--982", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hosur:1980:TDF, author = "Ramakrishna V. Hosur and Anjan S. Joshipura", title = "Theoretical description of fluidity in biological membranes: {Rotational} motion in lipid hydrocarbon chains", journal = j-IJQC, volume = "17", number = "5", pages = "983--993", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Suhai:1980:ESC, author = "S{\'a}ndor Suhai and Johannes Kaspar and J{\'a}nos Ladik", title = "Effect of side-chain disorder on the electronic structure of proteins", journal = j-IJQC, volume = "17", number = "5", pages = "995--1006", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Romano:1980:MCS, author = "Silvano Romano and Enrico Clementi", title = "{Monte Carlo} simulation of water solvent with biomolecules: {Serine} and the corresponding zwitterion", journal = j-IJQC, volume = "17", number = "5", pages = "1007--1029", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Osanai:1980:IIA, author = "You Osanai and Hiroshi Kashiwagi", title = "Improvement of an integral approximation scheme based on semiorthogonalized orbitals", journal = j-IJQC, volume = "17", number = "5", pages = "1031--1037", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Reid:1980:ZQO, author = "Charles E. Reid", title = "Zeroes of the quartic oscillator eigenfunctions", journal = j-IJQC, volume = "17", number = "5", pages = "1039--1041", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:AMC, author = "Anonymous", title = "Atomic and molecular collision theory", journal = j-IJQC, volume = "17", number = "5", pages = "1042--1042", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "17", number = "5", pages = "fmi--fmii", month = may, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:33 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ducla-Soares:1980:BEM, author = "Eduardo Ducla-Soares", title = "Biological effects of magnetic fields and cooperative phenomena", journal = j-IJQC, volume = "17", number = "6", pages = "1043--1046", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Constanciel:1980:PDA, author = "R. Constanciel and H. Gritli", title = "Pair density analysis of semiempirical wave functions: {Study} of water molecule including environmental effects", journal = j-IJQC, volume = "17", number = "6", pages = "1047--1068", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Szczesniak:1980:NSI, author = "Ma{\l}gorzata M. Szcz{\k{e}}{\'s}niak and Henryk Ratajczak", title = "Nonadditivity of the {SCF} interaction energy in the {(LiH)$_3$} complex", journal = j-IJQC, volume = "17", number = "6", pages = "1069--1074", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Spangler:1980:ICL, author = "Dale Spangler and Ralph E. Christoffersen", title = "Ab initio calculations on large molecules using molecular fragments. {Generalization} of the molecular fragment basis at the minimum basis set level", journal = j-IJQC, volume = "17", number = "6", pages = "1075--1097", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{TenHoor:1980:GEH, author = "Marten J. {Ten Hoor}", title = "{Gaussian} expansions of hydrogenic functions involving few variational parameters", journal = j-IJQC, volume = "17", number = "6", pages = "1099--1109", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Noack:1980:NMAa, author = "Wolf-Eckart Noack", title = "New method for approximate {Hartree--Fock} calculations using density approximations and {Coulomb} field corrections. {I}", journal = j-IJQC, volume = "17", number = "6", pages = "1111--1123", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Noack:1980:NMAb, author = "Wolf-Eckart Noack", title = "New method for approximate {Hartree--Fock} calculations using density approximations and {Coulomb} field corrections. {II}", journal = j-IJQC, volume = "17", number = "6", pages = "1125--1141", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morgan:1980:BMP, author = "John D. {Morgan III} and Barry Simon", title = "Behavior of molecular potential energy curves for large nuclear separations", journal = j-IJQC, volume = "17", number = "6", pages = "1143--1166", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tomasek:1980:PSE, author = "Mojm{\'\i}r Tom{\'a}{\v{s}}ek and {\v{S}}t{\v{e}}p{\'a}n Pick", title = "Projected surface energy bands, {Shockley} surface states, and bonding in transition-metal monocompounds with rock-salt structure: {Example} of {NbC}", journal = j-IJQC, volume = "17", number = "6", pages = "1167--1177", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ganas:1980:OOS, author = "P. S. Ganas", title = "Optical oscillator strengths for lithium", journal = j-IJQC, volume = "17", number = "6", pages = "1179--1184", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carbo:1980:HSM, author = "Ramon Carb{\'o} and Luis Leyda and Mariano Arnau", title = "How similar is a molecule to another? {An} electron density measure of similarity between two molecular structures", journal = j-IJQC, volume = "17", number = "6", pages = "1185--1189", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ibantez-Mengual:1980:QMT, author = "J. A. Ib{\'a}{\~n}tez-Mengual and A. F. Tejerina-Garc{\'\i}a", title = "Quantum model for transport through membranes", journal = j-IJQC, volume = "17", number = "6", pages = "1191--1200", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moiseyev:1980:CAR, author = "Nimrod Moiseyev and Frank Weinhold", title = "Criteria of accuracy of resonance eigenvalues", journal = j-IJQC, volume = "17", number = "6", pages = "1201--1211", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bregadze:1980:NDI, author = "V. G. Bregadze", title = "Nature of {DNA} interactions with cations: {UV Spectroscopic} investigations and {Marcus} theory", journal = j-IJQC, volume = "17", number = "6", pages = "1213--1219", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuropteva:1980:EIM, author = "Z. V. Kuropteva and M. K. Pulatova and M. A. Smotryaeva and K. E. Kruglyakova", title = "Electronic interactions of {N}-methyl-{N}-nitrosourea with {DNA} and its chemical modifications", journal = j-IJQC, volume = "17", number = "6", pages = "1221--1227", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1980:NEF, author = "Eugene S. Kryachko and Yuri A. Kruglyak and Bryan J. Dalton", title = "Nonrigidity effects of fragments of membrane-active complexons", journal = j-IJQC, volume = "17", number = "6", pages = "1229--1235", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sannigrahi:1980:SVE, author = "A. B. Sannigrahi and B. R. De", title = "Selected valence electron split-shell {MO} calculations on {Cu$_2$}, {Ag$_2$}, and {Au$_2$}", journal = j-IJQC, volume = "17", number = "6", pages = "1237--1239", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sen:1980:ARI, author = "K. D. Sen", title = "Approximate relationship for isoelectronic changes in atomic average electron density", journal = j-IJQC, volume = "17", number = "6", pages = "1241--1242", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "17", number = "6", pages = "fmi--fmii", month = jun, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560170601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1980:P, author = "Per-Olov L{\"o}wdin", title = "Preface", journal = j-IJQC, volume = "18", number = "1", pages = "1--1", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kutzelnigg:1980:NDP, author = "Werner Kutzelnigg", title = "New derivation and a $k$-particle generalization of {SCF}-type theories", journal = j-IJQC, volume = "18", number = "1", pages = "3--9", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pucci:1980:TMD, author = "Renato Pucci and Marcello Baldo and Antonio Grassi and Pasquale Tomasello", title = "Toward a microscopic description of molecular electronic systems", journal = j-IJQC, volume = "18", number = "1", pages = "11--18", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mestechkin:1980:OSR, author = "M. M. Mestechkin", title = "Open-shell restricted {Hartree--Fock} density matrix direct calculations", journal = j-IJQC, volume = "18", number = "1", pages = "19--23", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katsuki:1980:MPX, author = "Shinichi Katsuki and Hiroshi Taketa", title = "Model potential {X$\alpha$} method for the electronic structure calculations", journal = j-IJQC, volume = "18", number = "1", pages = "25--29", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ogawa:1980:NSC, author = "Tohru Ogawa", title = "New self-consistent theory of atoms: {Toward} a unified theory of atoms and atomic aggregates", journal = j-IJQC, volume = "18", number = "1", pages = "31--35", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hiroike:1980:MVO, author = "Eiko Hiroike", title = "Modified virtual orbitals of {Hartree--Fock} method in calculation of second-order perturbation energy", journal = j-IJQC, volume = "18", number = "1", pages = "37--42", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chang:1980:PSC, author = "Tse-Chiang Chang", title = "Perturbation and {SCF} calculations for excited states", journal = j-IJQC, volume = "18", number = "1", pages = "43--48", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chambaud:1980:PCT, author = "G. Chambaud and B. Levy and Ph. Milli{\'e}", title = "Perturbation calculation of transition moments in the {ArH$^+$} system", journal = j-IJQC, volume = "18", number = "1", pages = "49--55", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Au-Chin:1980:CID, author = "Tang Au-Chin and Sun Chia-Chung", title = "Conservation of intrinsic dual and single symmetries of molecular orbitals", journal = j-IJQC, volume = "18", number = "1", pages = "57--63", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roszak:1980:FLM, author = "Szczepan Roszak and Henryk Chojnacki", title = "Formulation of the {LCAS MS SCF} method within the {Gaussian} basis set", journal = j-IJQC, volume = "18", number = "1", pages = "65--71", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Uehara:1980:VIP, author = "Hiroshi Uehara and Takuma Itagaki", title = "Vertical ionization potential in hydrogen molecule with many-body {Green}'s function method", journal = j-IJQC, volume = "18", number = "1", pages = "73--78", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lee:1980:CBS, author = "Tieh-Sheng Lee and San-Yan Chu", title = "Comparison between the symmetry-correlation examination and the perturbation method", journal = j-IJQC, volume = "18", number = "1", pages = "79--87", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lumbroso:1980:IMO, author = "Henri Lumbroso and Giuseppe Concetto Pappalardo", title = "Ab initio molecular orbital study of the hydrogen-bonded pyrrole $\cdot$ acetonitrile complex", journal = j-IJQC, volume = "18", number = "1", pages = "89--99", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yamaguchi:1980:IUH, author = "Kizashi Yamaguchi", title = "Ab initio unrestricted {Hartree--Fock} ({UHF}) and {UHF}-natural orbital {CI} studies of ozone", journal = j-IJQC, volume = "18", number = "1", pages = "101--106", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rodwell:1980:ISS, author = "William R. Rodwell and Willem J. Bouma and Leo Radom", title = "Ab initio studies of 1,3-sigmatropic rearrangements: {Effect} of basis set and electron correlation", journal = j-IJQC, volume = "18", number = "1", pages = "107--116", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gayoso:1980:RCS, author = "J. Gayoso and B. Maouche and O. Ouamerali and A. Baba-Ahmed", title = "``Ring currents'' static hypersusceptibilities", journal = j-IJQC, volume = "18", number = "1", pages = "117--124", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hartmann:1980:SOC, author = "Hermann Hartmann and Dieter Schuch", title = "Spin--orbit coupling for the motion of a particle in a ring-shaped potential", journal = j-IJQC, volume = "18", number = "1", pages = "125--141", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nomura:1980:PES, author = "Okio Nomura", title = "Potential-energy surfaces of low-lying states of {HNO}", journal = j-IJQC, volume = "18", number = "1", pages = "143--150", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morita:1980:ILM, author = "Keiko Morita and Hiroshi Sato and Eiichi Ishiguro", title = "Ab initio {LCAO MO SCF} calculation of potential surface of the {NO$_2$} molecule", journal = j-IJQC, volume = "18", number = "1", pages = "151--156", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180121", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tsuda:1980:PES, author = "Minoru Tsuda and Setsuko Oikawa and Katsuhiko Kimura", title = "Potential-energy surfaces in the lower excited states of benzene $\rightleftharpoons$ {Dewar}--benzene isomerization process", journal = j-IJQC, volume = "18", number = "1", pages = "157--164", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180122", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sokalski:1980:BSS, author = "W. A. Sokalski and P. C. Hariharan and Joyce J. Kaufman and Carlo Petrongolo", title = "Basis set superposition effect on difference electrostatic molecular potential contour maps", journal = j-IJQC, volume = "18", number = "1", pages = "165--171", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180123", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sokalski:1980:MCN, author = "W. A. Sokalski and P. C. Hariharan and Herbert E. Popkie and Joyce J. Kaufman and Carlo Petrongolo", title = "Molecular calculations with the nonempirical ab initio {MODPOT}, {VRDDO}, and {MODPOT \slash VRDDO} procedures. {XI}. {Theoretical} study of the {[C$_6$H$_5$OH$\cdot$OC$_6$H$_5$]}$^-$ molecular complex: {Ab} initio {MODPOT \slash VRDDO} calculations and electrostatic molecular potential contour maps", journal = j-IJQC, volume = "18", number = "1", pages = "173--184", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180124", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gondo:1980:NSA, author = "Yasuhiko Gondo and Yoshiya Kanda", title = "Novel sign-alternation rule for the triplet state in aromatic systems", journal = j-IJQC, volume = "18", number = "1", pages = "185--188", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180125", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sokalski:1980:EAS, author = "W. A. Sokalski and P. C. Hariharan and Herbert E. Popkie and Joyce J. Kaufman", title = "Explanation of the artifact structure predictions within the semiempirical {ZDO SCF} supermolecular approach", journal = j-IJQC, volume = "18", number = "1", pages = "189--191", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180126", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boucekkine:1980:CCD, author = "A. Boucekkine", title = "{CNDO} calculation of the diamagnetic susceptibilities of cyclic conjugated molecules", journal = j-IJQC, volume = "18", number = "1", pages = "193--197", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180127", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chen:1980:CMC, author = "Cheng Chen", title = "{CNDO--MO} calculation of {N$_n$F$_m$} molecules", journal = j-IJQC, volume = "18", number = "1", pages = "199--204", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180128", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shibuya:1980:PEM, author = "Tai-Ichi Shibuya and Tadashi Funada", title = "Parametrization of the equations-of-motion method for conjugated hydrocarbons", journal = j-IJQC, volume = "18", number = "1", pages = "205--209", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180129", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Okido:1980:TBP, author = "Sadao Okido and Osamu Tanimoto", title = "Theory of the {Bose} particle representation for geminals", journal = j-IJQC, volume = "18", number = "1", pages = "211--217", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180130", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Steinborn:1980:EMI, author = "E. Otto Steinborn and Eckhard Filter", title = "Evaluation of multicenter integrals over {Slater}-type atomic orbitals by expansion in terms of complete sets", journal = j-IJQC, volume = "18", number = "1", pages = "219--226", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180131", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sasaki:1980:CXS, author = "Teikichi Sasaki and Hirohiko Adachi", title = "Calculations of {XPS} spectra for oxyanions and related compounds by the discrete variational-{X$\alpha$} method", journal = j-IJQC, volume = "18", number = "1", pages = "227--235", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180132", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Palma:1980:EPI, author = "A. Palma and E. Gonz{\'a}lez and O. Goscinski", title = "{ESCA} peak intensities for small molecules in the sudden approximation", journal = j-IJQC, volume = "18", number = "1", pages = "237--241", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180133", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yamabe:1980:TSP, author = "Shinichi Yamabe and Tsutomu Minato and Yoshihiro Osamura", title = "Theoretical study of photochemical reactions: {Electron} assignment and the state correlation diagram", journal = j-IJQC, volume = "18", number = "1", pages = "243--250", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180134", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fujikawa:1980:PCS, author = "Takashi Fujikawa and Haruo Kuroda", title = "Photoionization cross section calculated by dynamical theory", journal = j-IJQC, volume = "18", number = "1", pages = "251--256", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180135", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hirayama:1980:TEV, author = "Satoshi Hirayama", title = "Temperature effect on the vapor-phase exciplexes of cyano-substituted anthracenes", journal = j-IJQC, volume = "18", number = "1", pages = "257--261", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180136", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Christov:1980:CTBa, author = "S. G. Christov", title = "Collision theory of bimolecular and unimolecular reactions and its experimental test", journal = j-IJQC, volume = "18", number = "1", pages = "263--273", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180137", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Suzuki:1980:BED, author = "I. H. Suzuki and C. E. Brion and E. Weigold and G. R. J. Williams", title = "Binding energies at different momenta for the valence orbitals of {HCl} by the binary (e, 2 e) method", journal = j-IJQC, volume = "18", number = "1", pages = "275--280", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180138", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shibata:1980:EDW, author = "S. Shibata and F. Hirota and N. Kakuta and T. Muramatsu", title = "Electron distribution in water by high-energy electron scattering", journal = j-IJQC, volume = "18", number = "1", pages = "281--285", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180139", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kato:1980:LIF, author = "Hajime Kat{\^o}", title = "Laser-induced fluorescence of {Cs$_2$} and role of kinetic energy in the {Franck--Condon} principle", journal = j-IJQC, volume = "18", number = "1", pages = "287--291", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180140", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kono:1980:FCE, author = "H. K{\^o}no and Y. Fujimura and T. Nakajima", title = "Field correlation effects on the resonant light scattering", journal = j-IJQC, volume = "18", number = "1", pages = "293--300", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180141", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Uchida:1980:EME, author = "Kenji Uchida and Yoshihiro Takahashi", title = "Excimer and monomer emission of pyrene crystals associated with the phase transition", journal = j-IJQC, volume = "18", number = "1", pages = "301--305", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180142", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chu:1980:CBI, author = "San-Yan Chu and Shyi-Long Lee", title = "Comparison between intervalence charge transfer and molecular tautomerism", journal = j-IJQC, volume = "18", number = "1", pages = "307--310", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180143", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{VanCamp:1980:VSM, author = "P. E. {Van Camp} and V. E. {Van Doren} and J. T. Devreese", title = "Vibrational spectra of molecules in the {Hartree--Fock} dielectric screening approach", journal = j-IJQC, volume = "18", number = "1", pages = "311--315", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180144", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Devreese:1980:MEM, author = "J. T. Devreese and P. E. {Van Camp} and V. E. {Van Doren}", title = "Moment expansion method to calculate vibrational frequencies of molecules and solids", journal = j-IJQC, volume = "18", number = "1", pages = "317--321", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180145", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shibata:1980:NMV, author = "Masayuki Shibata and Theresa Julia Zielinski and Robert Rein", title = "Normal-mode vibrational frequencies and thermodynamic properties of uracil and 4-hydroxyuracil", journal = j-IJQC, volume = "18", number = "1", pages = "323--329", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180146", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yuan-Sun:1980:CDAa, author = "Kiang Yuan-Sun", title = "Calculation of the determinant of the adjacency matrix and the stability of conjugated molecules", journal = j-IJQC, volume = "18", number = "1", pages = "331--338", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180147", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mladenov:1980:MCC, author = "Ivailo M. Mladenov and Marin D. Kotarov and Julia G. Vassileva-Popova", title = "Method for computing the characteristic polynomial", journal = j-IJQC, volume = "18", number = "1", pages = "339--341", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180148", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "1", pages = "fmi--fmii", month = jul, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sabin:1980:EN, author = "John R. Sabin", title = "Editorial note", journal = j-IJQC, volume = "18", number = "2", pages = "345--345", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lohr:1980:RPE, author = "L. L. {Lohr, Jr.} and M. Hotokka and P. Pyykk{\"o}", title = "Relativistically parametrized {extended-H{\"u}ckel} calculations. {II}. {Orbital} energies of group-{IV} tetrahalides and tetramethyls", journal = j-IJQC, volume = "18", number = "2", pages = "347--355", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shinagawa:1980:ISS, author = "Yoshiya Shinagawa and Yasuko Shinagawa and Nobuhiro Uyesaka and Kohji Fukuda", title = "{INDO} {Studies} on the structure of benzosemiquinone radicals", journal = j-IJQC, volume = "18", number = "2", pages = "357--363", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Spanget-Larsen:1980:AHC, author = "Jens Spanget-Larsen", title = "Assignment of the hyperfine constants of the 1,2-benzosemiquinone radical anion: {Comment} on `` {INDO} studies on the structure of benzosemiquinone radicals''", journal = j-IJQC, volume = "18", number = "2", pages = "365--367", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mekenyan:1980:CGT, author = "O. Mekenyan and D. Bonchev and N. Trinajsti{\'c}", title = "Chemical graph theory: {Modeling} the thermodynamic properties of molecules", journal = j-IJQC, volume = "18", number = "2", pages = "369--380", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sinanoglu:1980:STP, author = "Oktay Sinano{\u{g}}lu", title = "The solvophobic theory for the prediction of molecular conformations and biopolymer bindings in solutions with recent direct experimental tests", journal = j-IJQC, volume = "18", number = "2", pages = "381--392", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Osamura:1980:QQC, author = "Y. Osamura and S. Yamabe and F. Hirota and H. Hosoya and S. Iwata and H. Kashiwagi and K. Morokuma and M. Togasi and S. Obara and K. Tanaka and K. Ohno", title = "{QCLDB} {---Quantum} chemistry literature data base---a trial", journal = j-IJQC, volume = "18", number = "2", pages = "393--396", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thuraisingham:1980:SMO, author = "R. A. Thuraisingham and S. H. M. Nilar", title = "Semiempirical molecular orbital calculations on $\pi$ electron systems", journal = j-IJQC, volume = "18", number = "2", pages = "397--401", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kai:1980:EST, author = "Eiko Kai and Kichisuke Nishimoto", title = "Electronic structure of transition-metal complexes. {I}. {Parametrization} for {CNDO/2} method", journal = j-IJQC, volume = "18", number = "2", pages = "403--408", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fischer-Hjalmars:1980:MBE, author = "I. Fischer-Hjalmars and A. Henriksson-Enflo", title = "Metal bridge effect: {V}. {Quantum} chemical studies of some metal chelates", journal = j-IJQC, volume = "18", number = "2", pages = "409--419", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Langlet:1980:PWI, author = "J. Langlet and C. Giessner-Prettre and B. Pullman and P. Claverie and D. Piazzola", title = "Purine--water interactions in base stacking", journal = j-IJQC, volume = "18", number = "2", pages = "421--437", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gumbinger:1980:SCM, author = "H. G. Gumbinger and P. M. Kaiser", title = "{SCF CI MO} calculations on the base--base interactions in dinucleoside monophosphates", journal = j-IJQC, volume = "18", number = "2", pages = "439--448", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Teitell:1980:MSF, author = "Murray F. Teitell and J. Lawrence Fox", title = "{MO} {Study} of flavin--protein interactions in flavodoxin catalysis", journal = j-IJQC, volume = "18", number = "2", pages = "449--456", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Osamura:1980:MSP, author = "Yoshihiro Osamura and Shinichi Yamabe and Kichisuke Nishimoto", title = "{MO} {Study} of the photochemical behavior of the imine bond", journal = j-IJQC, volume = "18", number = "2", pages = "457--462", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tanaka:1980:MSP, author = "H. Tanaka and T. Matsushita and Y. Osamura and K. Nishimoto", title = "{MO} {Study} on the photochemical isomerization of isoxazole", journal = j-IJQC, volume = "18", number = "2", pages = "463--468", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boudreaux:1980:QMC, author = "E. A. Boudreaux and T. P. Carsey", title = "Quasirelativistic {MO} calculations on platinum complexes (anticancer drugs) and their interaction with {DNA}", journal = j-IJQC, volume = "18", number = "2", pages = "469--479", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Loew:1980:COS, author = "Gilda H. Loew and Zelek S. Herman and Michael C. Zerner", title = "Calculated optical spectrum of model oxyheme complex", journal = j-IJQC, volume = "18", number = "2", pages = "481--492", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Spingarn:1980:MBI, author = "Neil E. Spingarn and Alan C. Sartorelli", title = "Mechanism of binding of iron to potential therapeutic chelating agents", journal = j-IJQC, volume = "18", number = "2", pages = "493--500", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180219", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grigoras:1980:HHE, author = "S. Grigoras and I. Rusu and E. Pausescu and A. Medesan and S. Moldoveanu", title = "Hydrophile--hydrophobe equilibrium of some prostaglandins --- {CNDO\slash SW} study", journal = j-IJQC, volume = "18", number = "2", pages = "501--508", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180220", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nagamura:1980:WIP, author = "Toshihiko Nagamura and Takashi Takayanagi and Taku Matsuo", title = "Weak interactions at the photoexcited states of partially oriented aromatic chromophores in man-made bilayer membranes", journal = j-IJQC, volume = "18", number = "2", pages = "509--513", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180221", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ikuta:1980:DEP, author = "Shigeru Ikuta and Shuichi Hashimoto and Masashi Imamura", title = "$\beta^-$-{Decay} effect on the proton movement in the pyridine--pyrrole hydrogen-bonded system", journal = j-IJQC, volume = "18", number = "2", pages = "515--519", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180222", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shinagawa:1980:RAE, author = "Yasuko Shinagawa and Yoshiya Shinagawa", title = "Regression analysis of enzyme reaction. {O}-methylation of catechol derivatives by catechol-{O}-methyltransferase", journal = j-IJQC, volume = "18", number = "2", pages = "521--526", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180223", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Komiyama:1980:SEC, author = "Tomoko Komiyama and Makoto Miwa", title = "Solvent effects on {CD} and {MCD} spectra of phenylalanine and its related compounds", journal = j-IJQC, volume = "18", number = "2", pages = "527--531", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180224", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hirokawa:1980:IAN, author = "Shoji Hirokawa", title = "Infrared absorption of nonpolar molecules in rattling motion", journal = j-IJQC, volume = "18", number = "2", pages = "533--537", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180225", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yoshikawa:1980:PPS, author = "Kenichi Yoshikawa and Noriyuki Kumazawa and Hiroshi Terada and Kazuo Akagi", title = "Physicochemical properties of {SF} 6847, a potent uncoupler of oxidative phosphorylation in mitochondria in relation to its activity", journal = j-IJQC, volume = "18", number = "2", pages = "539--544", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180226", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Au-Chin:1980:ALA, author = "Tang Au-Chin and Sun Chia-Chung and Li Bei-Foo", title = "Application of lie algebra to ligand-field theory", journal = j-IJQC, volume = "18", number = "2", pages = "545--555", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180227", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Au-Chin:1980:CCO, author = "Tang Au-Chin and Cho Ching-Yu and Sun Chia-Chung", title = "{$V$}-coupling coefficients from {${\rm SO}(3)$} to the octahedral group", journal = j-IJQC, volume = "18", number = "2", pages = "557--573", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180228", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DeHosson:1980:ESN, author = "J. Th. M. {De Hosson}", title = "Electronic states near dislocations in transition metals: {An} application of quantum chemistry in technology", journal = j-IJQC, volume = "18", number = "2", pages = "575--582", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180229", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Petelenz:1980:BEI, author = "Piotr Petelenz and Vedene H. {Smith, Jr.}", title = "Binding energies of ionized donor--exciton complexes in polar crystals", journal = j-IJQC, volume = "18", number = "2", pages = "583--586", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180230", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maruyama:1980:FST, author = "Yusei Maruyama and Keiko Takamiya-Ichikawa", title = "Fluorescence spectra and their temperature dependence of amorphous anthracene films doped with naphthacene", journal = j-IJQC, volume = "18", number = "2", pages = "587--593", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180231", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garcia-Prieto:1980:NEM, author = "J. Garc{\'\i}a-Prieto and O. Novaro", title = "Nonadditive effects in metal clusters and chemisorption. {Pseudopotential} study of palladium clusters", journal = j-IJQC, volume = "18", number = "2", pages = "595--600", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180232", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ruo-Zhuang:1980:LMT, author = "Liu Ruo-Zhuang and Feng Wen-Lin", title = "{LCAO--MO} treatment for deep levels produced by ion implantation of oxygen in gallium arsenide", journal = j-IJQC, volume = "18", number = "2", pages = "601--605", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180233", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1980:LD, author = "Jean-Louis Calais", title = "On the localization of defects", journal = j-IJQC, volume = "18", number = "2", pages = "607--613", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180234", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{VanDoren:1980:MTA, author = "V. E. {Van Doren} and P. E. {Van Camp} and J. T. Devreese", title = "Microscopic theory of the average band gap of semiconductors", journal = j-IJQC, volume = "18", number = "2", pages = "615--618", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180235", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kojima:1980:ETT, author = "N. Kojima and T. Ban and I. Tsujikawa", title = "Exciton transfer in the two-dimensional antiferromagnet {(C$_2$H$_5$NH$_3$)$_2$MnCl$_4$}", journal = j-IJQC, volume = "18", number = "2", pages = "619--623", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180236", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morita:1980:LEL, author = "Makoto Morita and Yoshiaki Kato", title = "{N}$_2$ {Laser}-excited luminescence of antiferromagnetically coupled trinuclear {chromium(III)} complexes", journal = j-IJQC, volume = "18", number = "2", pages = "625--631", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180237", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Satoh:1980:LRE, author = "Mitsuo Satoh and Toshihiko Taki", title = "Lattice relaxation and electric-field-gradient calculations in impurity-doped single ionic crystals", journal = j-IJQC, volume = "18", number = "2", pages = "633--640", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180238", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nose:1980:RTM, author = "Shuichi Nos{\'e} and Yoshiaki Ozaki and Kazuo Maki and Yosuke Kataoka", title = "Rotational tunneling of methane on the surface of graphite", journal = j-IJQC, volume = "18", number = "2", pages = "641--644", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180239", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kertesz:1980:NDE, author = "M. Kert{\'e}sz and J. Koller and A. A{\v{z}}man", title = "Nuclear distortion of the equidistant arrangement in {\em trans\/}-polyacetylene, {(CH)$_x$}", journal = j-IJQC, volume = "18", number = "2", pages = "645--650", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180240", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brower:1980:IMO, author = "A. L. Brower and J. R. Sabin and B. Crist and M. A. Ratner", title = "Ab initio molecular orbital studies of polyethylene deformation", journal = j-IJQC, volume = "18", number = "2", pages = "651--654", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180241", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mitani:1980:SRS, author = "T. Mitani and S. Suga and Y. Tokura and K. Koyama and I. Nakada and T. Koda", title = "Synchrotron radiation spectroscopy of quasi-one-dimensional materials", journal = j-IJQC, volume = "18", number = "2", pages = "655--659", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180242", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "2", pages = "fmi--fmii", month = aug, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:34 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pakiari:1980:SDO, author = "A. H. Pakiari and J. W. Linnett", title = "Single-determinantal open- and closed-shell {FSGO} calculations for some diatomic molecules", journal = j-IJQC, volume = "18", number = "3", pages = "661--673", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Odiot:1980:DMD, author = "J. Bridet Et S. Odiot and S. Fliszar", title = "Dynamique mol{\'e}culaire du cristal ammoniac. {Calcul} ab initio {SCF} de l'{\'e}nergie electronique. ({French}) [Molecular dynamics of the ammonium crystal. {SCF} ab initio calculation of the electronic energy]", journal = j-IJQC, volume = "18", number = "3", pages = "675--688", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Jolly:1980:VFP, author = "P. Jolly and R. P. Saxena and P. K. Srivastava and K. V. Sane", title = "Variational functions of the {Pad{\'e}} type---application to the ground state of the helium atom", journal = j-IJQC, volume = "18", number = "3", pages = "689--694", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Niukkanen:1980:GME, author = "A. W. Niukkanen", title = "{Gaussian} matrix elements of the operator {X}: {Reduction} to confluent hypergeometric functions", journal = j-IJQC, volume = "18", number = "3", pages = "695--708", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1980:CGF, author = "Herbert W. Jones", title = "Computer-generated formulas for overlap integrals of {Slater}-type orbitals", journal = j-IJQC, volume = "18", number = "3", pages = "709--713", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poirier:1980:UQGa, author = "R. A. Poirier and R. Daudel and P. G. Mezey and I. G. Csizmadia", title = "Uniform quality {Gaussian} basis sets for molecular calculations, {I}. {C$_1$} hydrocarbons", journal = j-IJQC, volume = "18", number = "3", pages = "715--725", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poirier:1980:UQGb, author = "R. A. Poirier and R. Daudel and I. G. Csizmadia", title = "Uniform quality {Gaussian} basis sets for molecular calculations. {II}. {C$_2$} hydrocarbons", journal = j-IJQC, volume = "18", number = "3", pages = "727--733", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fieck:1980:OTP, author = "Gerhard Fieck and Joachim Wirsich", title = "One- and two-particle fractional parentage for arbitrary point groups, configurations, and coupling schemes", journal = j-IJQC, volume = "18", number = "3", pages = "735--752", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fieck:1980:EIA, author = "Gerhard Fieck and Joachim Wirsich", title = "Electrostatic interaction for arbitrary point groups, configurations, and coupling schemes", journal = j-IJQC, volume = "18", number = "3", pages = "753--773", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bruggemann:1980:LBH, author = "R. Br{\"u}ggemann and J. Voitl{\"a}nder", title = "Local behavior of h{\"u}ckel parameters", journal = j-IJQC, volume = "18", number = "3", pages = "775--782", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1980:EDS, author = "I. Mayer and S. A. Angelov", title = "{EHF} {Description} of superexchange: {Relations} to {Anderson}'s model", journal = j-IJQC, volume = "18", number = "3", pages = "783--796", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Defina:1980:EMS, author = "J. A. Defina and P. R. Andrews", title = "Evaluation of {MINDO} \slash 3 calculations in simple amides, ureas, and heterocycles of biological interest", journal = j-IJQC, volume = "18", number = "3", pages = "797--810", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schweitz:1980:HTO, author = "Jan-{\AA}ke Schweitz", title = "Hypevirial theorem for open dynamical assemblies in the density matrix representation", journal = j-IJQC, volume = "18", number = "3", pages = "811--817", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shukla:1980:MPS, author = "G. C. Shukla and M. R. Issa and M. S. Narayan", title = "Multipole polarizabilities and shielding factors of the hydrogen atom from the hydrodynamic analogy to quantum mechanics. {III}", journal = j-IJQC, volume = "18", number = "3", pages = "819--825", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Srivastava:1980:ESN, author = "S. K. Srivastava and P. C. Mishra", title = "Electronic spectra of nucleic acid bases: {Variable} electronegativity calculations and an analysis of existing results", journal = j-IJQC, volume = "18", number = "3", pages = "827--840", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wormer:1980:CIM, author = "P. E. S. Wormer and J. Paldus", title = "Configuration interaction matrix elements. {III}. {Spin} functions relating the unitary and symmetric group approaches", journal = j-IJQC, volume = "18", number = "3", pages = "841--866", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Silverman:1980:VCP, author = "Jeremiah N. Silverman", title = "Variational constraints on perturbed eigenvalues and their perturbation expansions. {II}. {Perturbational} inequalities", journal = j-IJQC, volume = "18", number = "3", pages = "867--890", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kothekar:1980:RCI, author = "V. Kothekar and S. Dutta", title = "Role of {CA$^{2+}$} ion in the abortifacient action of prostaglandins. {II}. {Molecular} orbital and conformation energy calculations of {PGA$_1$}", journal = j-IJQC, volume = "18", number = "3", pages = "891--904", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wilson:1980:FOI, author = "Stephen Wilson", title = "Fourth-order invariant in {Rayleigh--Schr{\"o}dinger} perturbation theory", journal = j-IJQC, volume = "18", number = "3", pages = "905--906", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180320", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sen:1980:EES, author = "K. D. Sen", title = "Energy-eigenvalue sum relationship in molecules", journal = j-IJQC, volume = "18", number = "3", pages = "907--909", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180321", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1980:BRB, author = "Hans {\AA}gren", title = "Book Review: {{\booktitle{Atomic energy levels}}. Serafin Fraga, K. M. S. Saxena, and Jacek Karmowski. Elsevier Scientific Publishing Company, Amsterdam, 1979}", journal = j-IJQC, volume = "18", number = "3", pages = "911--911", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180322", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Fraga:1979:AEL}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dunne:1980:BRB, author = "Lawrence J. Dunne", title = "Book Review: {{\booktitle{High pressure chemistry}}. Edited by H. Kelm. NATO Advanced Study Institute Series, D. Reidel Publishing Company, Dordrccht. Holland, 1979}", journal = j-IJQC, volume = "18", number = "3", pages = "911--911", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180323", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Kelm:1978:HPC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "3", pages = "fmi--fmii", month = sep, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blagoy:1980:ESE, author = "Y. U. P. Blagoy and G. G. Sheina and A. V. Luzanov and L. K. Silina and V. F. Pedash and Y. U. V. Rubin and E. A. Leibina", title = "Effect of substituents on electron energy redistribution in uracil derivatives and their ionization in polar solvents", journal = j-IJQC, volume = "18", number = "4", pages = "913--919", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Warner:1980:ECH, author = "J. W. Warner and L. S. Bartell and S. M. Blinder", title = "Electron correlation and {Hund}'s rule", journal = j-IJQC, volume = "18", number = "4", pages = "921--935", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morton-Blake:1980:ESL, author = "D. A. Morton-Blake", title = "Effect of symmetry lowering on the band structure of polyacetylene", journal = j-IJQC, volume = "18", number = "4", pages = "937--951", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1980:TIDa, author = "John Avery and Per-Johan {\O}rmen", title = "Transferable integrals in a deformation density approach to crystal orbital calculations. {IV}. {Evaluation} of angular integrals by a vector-pairing method", journal = j-IJQC, volume = "18", number = "4", pages = "953--971", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boerth:1980:HOM, author = "Donald W. Boerth and F. A. Van-Catledge", title = "Hydrogenic orbitals as minimum-basis functions for {SCF} calculations", journal = j-IJQC, volume = "18", number = "4", pages = "973--993", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Datta:1980:SCC, author = "Dilip Kumar Datta and Sankar Sengupta", title = "Self-consistent calculation of $1s 2s$ {$^1$S} state wave function of helium", journal = j-IJQC, volume = "18", number = "4", pages = "995--1003", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1980:GTA, author = "Milan Randi{\'c} and Charles L. Wilkins", title = "Graph-theoretical analysis of molecular properties. {Isomeric} variations in nonanes", journal = j-IJQC, volume = "18", number = "4", pages = "1005--1027", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1980:HKT, author = "Eugene S. Kryachko", title = "{Hohenberg--Kohn} theorem", journal = j-IJQC, volume = "18", number = "4", pages = "1029--1035", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Flurry:1980:PSA, author = "R. L. {Flurry, Jr.} and T. H. {Siddall III}", title = "Permutational--symmetry-adapted powers of representations of the point groups deduced from the unitary group", journal = j-IJQC, volume = "18", number = "4", pages = "1037--1044", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mukherjee:1980:SEM, author = "Nirad Gopal Mukherjee and Pratip Ray", title = "Simplification of an earlier {MCSCF} procedure for {CI} expansions involving orbital excitations", journal = j-IJQC, volume = "18", number = "4", pages = "1045--1047", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katriel:1980:SVS, author = "J. Katriel and E. R. Davidson", title = "Shellwise virial scaling: {Approximation} for atomic hole states", journal = j-IJQC, volume = "18", number = "4", pages = "1049--1055", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dugay:1980:TVS, author = "M. Dugay and J. Roustan", title = "Toward a very simple picture of disorder effects in one-dimensional organic conductors", journal = j-IJQC, volume = "18", number = "4", pages = "1057--1069", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chalasinaski:1980:DSA, author = "Grezegorz Cha{\l}asi{\'n}aski and Krzysztof Szalewicz", title = "Degenerate symmetry-adapted perturbation theory. {Convergence} properties of perturbation expansions for excited states of {H$_2^+$} ion", journal = j-IJQC, volume = "18", number = "4", pages = "1071--1089", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Case:1980:SEA, author = "David A. Case and Cary Y. Yang", title = "Stable and efficient algorithms for {X$\alpha$} multiple scattering calculations", journal = j-IJQC, volume = "18", number = "4", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "1091--1099", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aiken:1980:LO, author = "John G. Aiken and John A. Erdos and Jerome A. Goldstein", title = "On {L{\"o}wdin} orthogonalization", journal = j-IJQC, volume = "18", number = "4", pages = "1101--1108", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weiner:1980:SCA, author = "Brian Weiner and Osvaldo Goscinski", title = "Self-consistent approximation to the polarization propagator", journal = j-IJQC, volume = "18", number = "4", pages = "1109--1131", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "4", pages = "fmi--fmii", month = oct, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mohammad:1980:HAWb, author = "S. Noor Mohammad", title = "High accuracy wave functions and eigenenergies for the vibration--rotation states of diatomic molecules by factorization method", journal = j-IJQC, volume = "18", number = "5", pages = "1133--1142", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Otto:1980:CCT, author = "P. Otto and J. Ladik", title = "Concept of charge transfer: {Investigation} of charge transfer in the glyoxal--formamide, water dimer, and water--lithium cation systems", journal = j-IJQC, volume = "18", number = "5", pages = "1143--1155", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Takada:1980:ITA, author = "Toshikazu Takada and Fukashi Sasaki", title = "Improved transformation algorithm of two-electron integrals from atomic orbital basis to a symmetry orbital basis", journal = j-IJQC, volume = "18", number = "5", pages = "1157--1163", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pavato:1980:MSM, author = "A. C. Pav{\~a}to and M. Braga and A. Fazzio and J. R. Leite", title = "Multiple scattering mass operator method for molecular orbital calculations", journal = j-IJQC, volume = "18", number = "5", pages = "1165--1173", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Facell:1980:IHO, author = "J. C. Facell and R. H. Contreras", title = "Inclusion of hydrogen $p$ orbitals in the semiempirical calculation of {NMR} parameters. {I}. {Influence} on the {FPT INDO} spin--spin coupling constants", journal = j-IJQC, volume = "18", number = "5", pages = "1175--1185", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wolf:1980:NCD, author = "Andreas Wolf and Hans-Herbert Schmidtke", title = "Nonempirical calculations on diatomic transition metals. {II}. {RHF} investigation of lowest closed-shell states of homonuclear $3d$ transition-metal dimers", journal = j-IJQC, volume = "18", number = "5", pages = "1187--1205", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carbo:1980:AFO, author = "Ramon Carb{\'o} and Lloren{\c{c}}l Domingo and Josep Gregori", title = "Average {Fock} operators", journal = j-IJQC, volume = "18", number = "5", pages = "1207--1221", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jolly:1980:EPM, author = "Pratibha Jolly and Kamalni Sane and K. V. Sane", title = "Effective potential model for calculating the energy shift in the ground state of two-electron atoms", journal = j-IJQC, volume = "18", number = "5", pages = "1223--1228", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Siegbahn:1980:DCI, author = "Per E. M. Siegbahn", title = "Direct configuration interaction with a reference state composed of many reference configurations", journal = j-IJQC, volume = "18", number = "5", pages = "1229--1242", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jankowski:1980:ACP, author = "K. Jankowski and J. Paldus", title = "Applicability of coupled-pair theories to quasidegenerate electronic states: a model study", journal = j-IJQC, volume = "18", number = "5", pages = "1243--1269", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larsson:1980:IHF, author = "Sven Larsson and Michael Hehenberger and Paulo {Corr{\^e}a De Mello}", title = "Ab initio {Hartree--Fock} and multiple-scattering {X$\alpha$} calculation of the $g$ factors for {CuF$_2$}", journal = j-IJQC, volume = "18", number = "5", pages = "1271--1278", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Coleman:1980:RHO, author = "A. J. Coleman and I. Absar", title = "Reduced {Hamiltonian} orbitals. {III}. {Unitarily} invariant decomposition of {Hermitian} operators", journal = j-IJQC, volume = "18", number = "5", pages = "1279--1307", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scharfenberg:1980:BRF, author = "Peter Scharfenberg and J. Sauer", title = "Biological response as a function of conformation, chirality, and electronic characteristics: a catecholamine study", journal = j-IJQC, volume = "18", number = "5", pages = "1309--1337", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "5", pages = "fmi--fmii", month = nov, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fanning:1980:CSI, author = "M. O. Fanning and N. J. Fitzpatrick", title = "{CNDO \slash INDO} formalism for $f$ block elements", journal = j-IJQC, volume = "18", number = "6", pages = "1339--1359", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boca:1980:MPM, author = "R. Bo{\v{c}}a and P. Pelik{\'a}n", title = "Modified {PCILO} method. {II}. {Second}-order energy and geometry of transition-metal halides", journal = j-IJQC, volume = "18", number = "6", pages = "1361--1370", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hopkinson:1980:TSS, author = "A. C. Hopkinson and M. H. Lien", title = "Theoretical study of substituent effects on the acidity of the methyl group: {Structure} of anions {CH$_2$X$^-$}", journal = j-IJQC, volume = "18", number = "6", pages = "1371--1391", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bendazzoli:1980:PAC, author = "G. L. Bendazzoli and S. Evangelisti and F. Ortolani", title = "{Pad{\'e}} algorithm for the computation of static and dynamic second-order properties by large-scale {CI} expansion", journal = j-IJQC, volume = "18", number = "6", pages = "1393--1404", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morton-Blake:1980:MOT, author = "D. A. Morton-Blake and N. R. Russell", title = "Molecular-orbital treatment of complex cations of magnesium and beryllium with acetonitrile", journal = j-IJQC, volume = "18", number = "6", pages = "1405--1413", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tindimubona:1980:OCE, author = "Alex R. Tindimubona", title = "One-center expansion method with model potentials. {I}. {Formulation} and test calculations", journal = j-IJQC, volume = "18", number = "6", pages = "1415--1429", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kello:1980:FOD, author = "Vladimir Kell{\"o} and Miroslav Urban", title = "Fourth-order diagrammatic {MB--RSPT} calculations of the correlation energy: {N$_2$}, {CO}, {F$_2$} and the reaction energy of the process {$\frac{1}{2}$F$_2$ $+$ $\frac{1}{2}$H$_2$ $=$ HF}", journal = j-IJQC, volume = "18", number = "6", pages = "1431--1448", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Verwoerd:1980:VCS, author = "W. S. Verwoerd", title = "Variation of calculated single bond lengths in saturated hydrocarbon and silicon hydride molecules", journal = j-IJQC, volume = "18", number = "6", pages = "1449--1463", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Largo-Cabrerizo:1980:OCS, author = "J. Largo-Cabrerizo and F. M. Duque Calvo", title = "Orbital contributions to some two-electron properties", journal = j-IJQC, volume = "18", number = "6", pages = "1465--1472", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hehenberger:1980:ASM, author = "Michael Hehenberger and Ulf H{\aa}lenius and Sven Larsson", title = "Absorption spectrum of manganian andalusite: {Cluster} calculation by an ab initio method", journal = j-IJQC, volume = "18", number = "6", pages = "1473--1477", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Murthy:1980:SMO, author = "A. S. N. Murthy and Shoba Ranganathan", title = "Semiempirical molecular-orbital studies on the problem of nonclassical resonance in the homoallylic cation", journal = j-IJQC, volume = "18", number = "6", pages = "1479--1482", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maksic:1980:CQM, author = "Z. B. Maksi{\'c}", title = "Comment on quadrupole moments, dipole quadrupole {A} and quadrupole {C} polarizabilities by means of perturbation theory", journal = j-IJQC, volume = "18", number = "6", pages = "1483--1484", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharjee:1980:VFP, author = "Ravi Shankar Bhattacharjee", title = "Variational function of the {Pad{\'e}} type for the ground state of the x$^4$ anharmonic oscillator", journal = j-IJQC, volume = "18", number = "6", pages = "1485--1487", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sabin:1980:AE, author = "John R. Sabin", title = "Addenda and errata", journal = j-IJQC, volume = "18", number = "6", pages = "1489--1489", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hartmann:1980:CNF, author = "Hermann Hartmann and Kyu-Myung Chung", title = "Classical nonlinear field theory of chemical bonding", journal = j-IJQC, volume = "18", number = "6", pages = "1491--1503", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Itagaki:1980:MBC, author = "T. Itagaki and A. Saika", title = "Many-body calculation of the electric field gradient in the hydrogen molecule", journal = j-IJQC, volume = "18", number = "6", pages = "1505--1510", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maekawa:1980:MLM, author = "Hiroyuki Maekawa and Masahiko Hosokawa", title = "Model for the lipid monolayer-phase transitions", journal = j-IJQC, volume = "18", number = "6", pages = "1511--1516", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hosokawa:1980:TMP, author = "Masahiko Hosokawa", title = "Theoretical model for the phase transition of a membrane as a multicomponent system", journal = j-IJQC, volume = "18", number = "6", pages = "1517--1522", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Toyoda:1980:AEC, author = "Kaoru Toyoda", title = "Analyses of the electronic collective motions by means of a nonlinear dynamical equation", journal = j-IJQC, volume = "18", number = "6", pages = "1523--1531", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kubota:1980:ETP, author = "R. Kubota and H. Kobayashi and I. Tsujikawa and T. Enoki", title = "Electrical and thermal properties of the partially oxidized salt of the {Magnus} green salt with the formula {Pt$_6$(NH$_3$)$_{10}$Cl$_{10}$(HSO$_4$)$_4$}", journal = j-IJQC, volume = "18", number = "6", pages = "1533--1538", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180621", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yuan-Sun:1980:CDAb, author = "Kiang Yuan-Sun", title = "Calculation of the determinant of the adjacency matrix and the stability of conjugated molecules", journal = j-IJQC, volume = "18", number = "6", pages = "1539--1539", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180622", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Christov:1980:CTBb, author = "S. G. Christov", title = "Collision theory of bimolecular and unimolecular reactions and its experimental test", journal = j-IJQC, volume = "18", number = "6", pages = "1541--1542", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180623", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1980:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "6", pages = "fmi--fmii", month = dec, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:35 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sarma:1980:SDL, author = "M. H. Sarma and C. K. Mitra and Ramaswamy H. Sarma and Sydney Archer", title = "Structure of {DNA}-lucanthone intercalated complex", journal = j-IJQC, volume = "18", number = "S7", pages = "1--10", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Miller:1980:IMN, author = "Kenneth J. Miller and Michael Lauer and Sydney Archer", title = "Interactions of molecules with nucleic acids. {V}. {Intercalation} of thioxanthenones into {DNA}", journal = j-IJQC, volume = "18", number = "S7", pages = "11--34", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{VanZandt:1980:MAD, author = "L. L. {Van Zandt} and E. W. Prohofsky and M. Kohli", title = "Microwave absorption by double-helical {DNA}", journal = j-IJQC, volume = "18", number = "S7", pages = "35--38", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mitra:1980:SSD, author = "C. K. Mitra and Ramaswamy H. Sarma and C. Giessner-Prettre and Bernard Pullman", title = "Solution structure of {DNA}: {The} method of nuclear magnetic resonance spectroscopy", journal = j-IJQC, volume = "18", number = "S7", pages = "39--66", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gupta:1980:SMI, author = "Raj K. Gupta", title = "On the state of the magnesium ion in intact cells as observed by noninvasive {$^{31}$P} {NMR} spectroscopy", journal = j-IJQC, volume = "18", number = "S7", pages = "67--73", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kertesz:1980:ENS, author = "Judith C. Kertesz and Koloman Laki", title = "Effect of neutral salts and methylglyoxal on the {\em cis-trans\/} equilibrium of n-methylacetamide. {A} 13-carbon nuclear magnetic resonance study", journal = j-IJQC, volume = "18", number = "S7", pages = "75--81", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Moore:1980:EII, author = "Richard D. Moore and Raj K. Gupta", title = "Effect of insulin on intracellular {pH} as observed by {$^{31}$P} {NMR} spectroscopy", journal = j-IJQC, volume = "18", number = "S7", pages = "83--92", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gascoyne:1980:ESR, author = "Peter R. C. Gascoyne", title = "Electron spin resonance and spectral studies of bovine serum albumin-methylglyoxal complexes", journal = j-IJQC, volume = "18", number = "S7", pages = "93--100", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kumar:1980:CFE, author = "N. Vasanth Kumar and Girjesh Govil", title = "Conformation and flexibility of the $3^\prime$-end of {tRNA}", journal = j-IJQC, volume = "18", number = "S7", pages = "101--113", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Weintraub:1980:CAA, author = "H. J. R. Weintraub and Paul G. Seybold", title = "Conformational analysis of anilinonaphthalenesulfonate derivatives. {I}. 2-anilino-6-naphthalenesulfonate", journal = j-IJQC, volume = "18", number = "S7", pages = "115--122", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Saran:1980:MOS, author = "Anil Saran and C. L. Chatterjee", title = "Molecular orbital studies on nucleoside antibiotics {III}. {Conformation} of toyocamycin and sangivamycin", journal = j-IJQC, volume = "18", number = "S7", pages = "123--136", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Herman:1980:CGS, author = "Zelek S. Herman and Gilda H. Loew and Marie-Madeleine Rohmer", title = "Calculated ground-state properties and optical spectrum of model carbonylheme complexes", journal = j-IJQC, volume = "18", number = "S7", pages = "137--153", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sapse:1980:ESP, author = "Anne-Marie Sapse", title = "Electronic studies of the pyrrolidine molecule with aziridine ring", journal = j-IJQC, volume = "18", number = "S7", pages = "155--162", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Thomson:1980:ICE, author = "Colin Thomson", title = "Ab-initio calculations of the equilibrium geometry of $\beta$-propiolactone (2-oxetanone) by the force method", journal = j-IJQC, volume = "18", number = "S7", pages = "163--169", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Abdulnur:1980:ISM, author = "S. F. Abdulnur", title = "Ab-initio study of the mechanism for the reaction of a primary amine with an aldehyde group", journal = j-IJQC, volume = "18", number = "S7", pages = "171--176", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kerteasz:1980:ESP, author = "Mikl{\'o}as Kert{\'e}asz and Jo{\v{z}}ke Koller and Andrej A{\v{z}}kman", title = "On the electronic structure of periodic polyglycine", journal = j-IJQC, volume = "18", number = "S7", pages = "177--179", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ladik:1980:IBS, author = "J{\'a}anos Ladik and S{\'a}andor Suhai", title = "Ab-initio band structure of polycytidine; internal charge transfer in {DNA}", journal = j-IJQC, volume = "18", number = "S7", pages = "181--186", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Randica:1980:GEC, author = "Milan Randi{\'c}a", title = "Graphical enumeration of conformations of chains", journal = j-IJQC, volume = "18", number = "S7", pages = "187--197", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Scheiner:1980:PTP, author = "Steve Scheiner", title = "Proton transfer potentials in hydrogen-bonded systems: {(H$_5$O$_2$)}$^+$", journal = j-IJQC, volume = "18", number = "S7", pages = "199--206", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pack:1980:MGO, author = "George R. Pack and Dudley V. Goetschel", title = "Molecular geometry optimization by semiempirical methods using an optimized minimization of electronic and nuclear energies", journal = j-IJQC, volume = "18", number = "S7", pages = "207--216", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Szent-Gyorgyi:1980:LSC, author = "A. Szent-Gy{\"o}rgyi", title = "The living state and cancer", journal = j-IJQC, volume = "18", number = "S7", pages = "217--222", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Loew:1980:MSA, author = "Gilda H. Loew and Andrew T. Pudzianowski and Alfredo Czerwinski and James E. {Ferrell, Jr.}", title = "Mechanistic studies of addition of nucleophiles to arene oxides and diol epoxides: {Candidate} ultimate carcinogens", journal = j-IJQC, volume = "18", number = "S7", pages = "223--244", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pullman:1980:EEM, author = "Alberte Pullman and Bernard Pullman", title = "Electrostatic effect of the macromolecular structure on the biochemical reactivity of the nucleic acids. {Significance} for chemical carcinogenesis", journal = j-IJQC, volume = "18", number = "S7", pages = "245--259", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Seybold:1980:MOS, author = "Paul G. Seybold and Astrid Gr{\"a}uslund", title = "A molecular orbital study of the metabolism and carcinogenicity of the phenols of benzo(a)pyrene", journal = j-IJQC, volume = "18", number = "S7", pages = "261--270", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Seybold:1980:ARF, author = "Paul G. Seybold", title = "Aryloxy radical formation as a deactivating process in chemical carcinogenesis: {Phenolic} derivatives of 7,12-dimethylbenz[a]anthracene and 5-methylchrysene", journal = j-IJQC, volume = "18", number = "S7", pages = "271--276", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Findley:1980:GGC, author = "G. L. Findley and S. P. Mcglynn", title = "The Generalized Genetic Code. {A} Modification of Code Universality", journal = j-IJQC, volume = "18", number = "S7", pages = "277--281", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Broch:1980:QMS, author = "H. Broch and D. Cabrol and D. Vasilescu", title = "Quantum Mechanical Simulation of the Interaction Between the Radioprotector cysteamine and {DNA}", journal = j-IJQC, volume = "18", number = "S7", pages = "283--295", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Andrews:1980:SES, author = "P. R. Andrews and J. A. Defina", title = "Stereochemistry and electronic structure of anticonvulsant drugs", journal = j-IJQC, volume = "18", number = "S7", pages = "297--313", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Radhakrishnan:1980:NIM, author = "R. Radhakrishnan and Subhashini Srinivasan and C. V. Prasad and S. R. Brinda and R. D. MacElroy and K. Sundaram", title = "Nonbonded interactions in membrane active cyclic biopolymers. {IV}. Cation dependence", journal = j-IJQC, volume = "18", number = "S7", pages = "315--322", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lavery:1980:MEP, author = "Richard Lavery and Didier Cauchy and Olivia {De La Luz Rojas} and Alberte Pullman", title = "Molecular electrostatic potential of the {B-DNA} helix. {VII}. Effect of screening by monovalent cations", journal = j-IJQC, volume = "18", number = "S7", pages = "323--330", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Davies:1980:PAC, author = "R. H. Davies and L. H. Smith", title = "Partial agonism of cardiac $\beta$-adrenoceptor blocking agents and competitive conformer-receptor occupancy", journal = j-IJQC, volume = "18", number = "S7", pages = "331--345", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Slater:1980:ETR, author = "Trevor F. Slater and Mustaq Ahmed and Chiara Benedetto and Kevin Cheeseman and John E. Packer and Robin L. Willson and Mario U. Dianzani", title = "Electron transfer reactions in endoplasmic reticulum: {Free} radical production, lipid peroxidation, covalent binding and cell division", journal = j-IJQC, volume = "18", number = "S7", pages = "347--356", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Karle:1980:SDA, author = "Jerome Karle", title = "Some developments in anomalous dispersion for the structural investigation of macromolecular systems in biology", journal = j-IJQC, volume = "18", number = "S7", pages = "357--367", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gupta:1980:MAL, author = "Raj K. Gupta and John M. Pesando", title = "Mechanism of activity-linked ionization in carbonic anhydrase", journal = j-IJQC, volume = "18", number = "S7", pages = "369--373", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ducla-Soares:1980:AMC, author = "Eduardo Ducla-Soares and Maria Margarida Godinho", title = "An application of microphysical concepts to the sensory response: {Cooperative} effects", journal = j-IJQC, volume = "18", number = "S7", pages = "375--383", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cross:1980:MHE, author = "Thomas E. Cross and Ronald Pethig", title = "Microwave {Hall} effect measurements on biopolymers", journal = j-IJQC, volume = "18", number = "S7", pages = "385--395", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Naaray-Szaboa:1980:EEE, author = "G. N{\'a}aray-Szab{\'o}a and L. Polg{\'a}r", title = "Effect of environment on enzymatic action: {His-64\dottedbond{}asp-32} proton transfer in subtilisin", journal = j-IJQC, volume = "18", number = "S7", pages = "397--402", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Klasinc:1980:APS, author = "L. Klasinc and N. Trinajsti{\'c}a and J. V. Knop", title = "Application of photoelectron spectroscopy to biologically active molecules and their constituent parts. {VIII}. {Thalidomide}", journal = j-IJQC, volume = "18", number = "S7", pages = "403--409", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pohl:1980:OFA, author = "Herbert A. Pohl", title = "Oscillating fields about growing cells", journal = j-IJQC, volume = "18", number = "S7", pages = "411--431", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1980:A, author = "Anonymous", title = "Abstracts", journal = j-IJQC, volume = "18", number = "S7", pages = "433--434", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1980:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "S7", pages = "fmi--fmi", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1980:Mo, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "S7", pages = "fmi--fmi", day = "5--8", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:46 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Freidman:1980:I, author = "Ambassador Bengt Freidman", title = "Introduction", journal = j-IJQC, volume = "18", number = "S14", pages = "1--4", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bryan:1980:NAH, author = "Robert A. Bryan", title = "On the nature of {American Higher Education}", journal = j-IJQC, volume = "18", number = "S14", pages = "5--7", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1980:BW, author = "Anonymous", title = "{E. Bright Wilson}", journal = j-IJQC, volume = "18", number = "S14", pages = "9--16", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Wilson:1980:SPS, author = "E. Bright Wilson", title = "Some personal scientific reminiscences", journal = j-IJQC, volume = "18", number = "S14", pages = "17--29", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mollmann:1980:THG, author = "James C. Mollmann and Libero J. Bartolotti", title = "Third-harmonic generation and intensity-dependent refractive index of atomic hydrogen", journal = j-IJQC, volume = "18", number = "S14", pages = "31--41", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Blinder:1980:AFN, author = "S. M. Blinder", title = "Asymptotic forms for the nonrelativistic {Coulomb} propagator", journal = j-IJQC, volume = "18", number = "S14", pages = "43--51", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Junker:1980:CSM, author = "B. R. Junker", title = "The complex stabilization method: {Application} to atomic resonances", journal = j-IJQC, volume = "18", number = "S14", pages = "53--66", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Das:1980:REE, author = "M. P. Das", title = "Relativistic exchange energies for heavy atoms", journal = j-IJQC, volume = "18", number = "S14", pages = "67--70", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Green:1980:AME, author = "A. E. S. Green and P. F. Schippnick and D. E. Rio and P. S. Ganas", title = "An analytic model of electron-oxygen elastic scattering in the {1--500-eV} range", journal = j-IJQC, volume = "18", number = "S14", pages = "71--82", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Petelenz:1980:ITM, author = "Piotr Petelenz and Vedene H. {Smith, Jr.}", title = "An integral transform method for solving a quantum mechanical three-body problem with exponential-type potentials", journal = j-IJQC, volume = "18", number = "S14", pages = "83--92", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tatewaki:1980:CCG, author = "Hiroshi Tatewaki and Sigeru Huzinaga", title = "Compact contracted {Gaussian}-type basis sets from {Li} to {Ne}", journal = j-IJQC, volume = "18", number = "S14", pages = "93--106", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sakai:1980:CCG, author = "Yoshiko Sakai and Hiroshi Tatewaki and Sigeru Huzinaga", title = "Compact contracted {Gaussian}-type basis sets from {Na} to {Ar}: {Application} to molecular calculations", journal = j-IJQC, volume = "18", number = "S14", pages = "107--112", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Simons:1980:CCR, author = "Jack Simons", title = "The complex coordinate rotation method and exterior scaling: {A} simple example", journal = j-IJQC, volume = "18", number = "S14", pages = "113--121", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Keller:1980:AKS, author = "Jaime Keller and Walter Baltensperger", title = "The analysis of the {Knight} shift in the $\mu^+$ {SR} technique", journal = j-IJQC, volume = "18", number = "S14", pages = "123--129", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Csavinszky:1980:VST, author = "P. Csavinszky", title = "Variational solution of the {Thomas--Fermi} equation for compressed atoms at high temperatures", journal = j-IJQC, volume = "18", number = "S14", pages = "131--134", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Golden:1980:GHS, author = "Sidney Golden", title = "Generalized {Hartree-Slater} theory: {Lower} bounds to {Hartree--Fock} energies", journal = j-IJQC, volume = "18", number = "S14", pages = "135--142", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cohen:1980:RDM, author = "L. Cohen and P. Santhanam and C. Frishberg", title = "Reduced density matrix equations and functionals for correlation energy", journal = j-IJQC, volume = "18", number = "S14", pages = "143--154", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bell:1980:BBD, author = "J. S. Bell", title = "{De Broglie--Bohm}, delayed-choice, double-slit experiment, and density matrix", journal = j-IJQC, volume = "18", number = "S14", pages = "155--159", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Frishberg:1980:HFD, author = "C. Frishberg and L. Cohen and P. Blumenau", title = "{Hartree--Fock} density matrix equation: {Open}-shell systems", journal = j-IJQC, volume = "18", number = "S14", pages = "161--165", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Massa:1980:LEM, author = "L. J. Massa and L. Cohen", title = "A local energy method based on the reduced density matrix equations", journal = j-IJQC, volume = "18", number = "S14", pages = "167--173", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Roos:1980:CAS, author = "Bj{\"o}rn O. Roos", title = "The complete active space {SCF} method in a {Fock}-matrix-based super-{CI} formulation", journal = j-IJQC, volume = "18", number = "S14", pages = "175--189", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Vela:1980:ESD, author = "Alberto Vela and Andoni Garritz", title = "Electronic structure of dichloro-bridged {ruthenium(II)} dimers", journal = j-IJQC, volume = "18", number = "S14", pages = "191--200", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Rives:1980:NHO, author = "A. B. Rives and F. Weinhold", title = "Natural hybrid orbitals: {Ab} initio {SCF} and {CI} results for {CO} and {NiCO}", journal = j-IJQC, volume = "18", number = "S14", pages = "201--209", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Shepard:1980:MWO, author = "Ron Shepard and Jack Simons", title = "Multiconfigurational wavefunction optimization using the unitary group method", journal = j-IJQC, volume = "18", number = "S14", pages = "211--228", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Blomberg:1980:GSP, author = "Margareta R. A. Blomberg and Per E. M. Siegbahn and Bj{\"o}rn O. Roos", title = "The ground-state potential curve of the beryllium dimer", journal = j-IJQC, volume = "18", number = "S14", pages = "229--247", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Albertsen:1980:MTD, author = "Preben Albertsen and Poul J{\o}rgensen and Danny L. Yeager", title = "Multiconfigurational time-dependent {Hartree--Fock} calculation of vertical excitation energies and transition moments of {O$_2$}", journal = j-IJQC, volume = "18", number = "S14", pages = "249--260", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Wahl:1980:DCE, author = "Arnold C. Wahl and Edward S. Sachs and John H. Detrich", title = "The differential correlation energy method for the calculation of electron affinities, ionization potentials, and vertical spectra", journal = j-IJQC, volume = "18", number = "S14", pages = "261--261", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Detrich:1980:TSA, author = "John Detrich and Edward S. Sachs and Arnold C. Wahl", title = "Theoretical studies of atmospheric triatomic molecules", journal = j-IJQC, volume = "18", number = "S14", pages = "262--262", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lim:1980:SSE, author = "T. K. Lim", title = "Solving the {Schr{\"o}dinger} equation without integration", journal = j-IJQC, volume = "18", number = "S14", pages = "263--268", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yamaguchi:1980:MMC, author = "Kizashi Yamaguchi", title = "Multireference {(MR)} configuration interaction {(CI)} approach for quasidegenerate systems", journal = j-IJQC, volume = "18", number = "S14", pages = "269--284", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Langhoff:1980:TSP, author = "P. W. Langhoff and N. Padial and G. Csanak and T. N. Rescigno and B. V. Mckoy", title = "Theoretical studies of photoionization in diatomic and polyatomic molecules", journal = j-IJQC, volume = "18", number = "S14", pages = "285--304", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cvitas:1980:PSS, author = "T. Cvita{\v{s}} and L. Klasinc and I. Novak and H. G{\"u}sten", title = "Photoelectron spectra of some perhalogenated methanes", journal = j-IJQC, volume = "18", number = "S14", pages = "305--313", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nicolaides:1980:FAM, author = "C. A. Nicolaides and G. Theodorakopoulos", title = "{FOTOS} applied to molecules: {Oscillator} strengths in {H$_2$O}", journal = j-IJQC, volume = "18", number = "S14", pages = "315--322", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Beck:1980:TIC, author = "D. R. Beck and C. A. Nicolaides", title = "On the theoretical interpretation and calculation of inner-electron photoemission spectra in atoms and solids", journal = j-IJQC, volume = "18", number = "S14", pages = "323--333", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mishra:1980:CTP, author = "Manoj Mishra and Yngve {\"O}hrn", title = "Correlated treatment of photoionization cross sections in the orthogonalized plane wave approximation for the ejected electron", journal = j-IJQC, volume = "18", number = "S14", pages = "335--348", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Shepard:1980:ESS, author = "Ron Shepard and Jack Simons", title = "The electronic structure of singlet cyclopentadienylidene", journal = j-IJQC, volume = "18", number = "S14", pages = "349--353", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Harris:1980:FMM, author = "Frank E. Harris and A. Trautwein and J. Delhalle", title = "The {FAKE} method of molecular orbital calculation", journal = j-IJQC, volume = "18", number = "S14", pages = "355--361", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Newton:1980:FEE, author = "Marshall D. Newton", title = "Formalisms for electron-exchange kinetics in aqueous solution and the role of ab initio techniques in their implementation", journal = j-IJQC, volume = "18", number = "S14", pages = "363--391", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ziegler:1980:REB, author = "T. Ziegler and J. G. Snijders and E. J. Baerends", title = "Relativistic effects on bonding", journal = j-IJQC, volume = "18", number = "S14", pages = "393--394", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Broclawik:1980:ESS, author = "Ewa Broclawik and Vedene H. {Smith, Jr.}", title = "Electronic structure of selenium chains by the {SCF--SW--X$\alpha$} method", journal = j-IJQC, volume = "18", number = "S14", pages = "395--403", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Piela:1980:LRI, author = "Lucjan Piela and Jean-Marie Andr{\'e} and Jean-Luc Br{\'e}das and Joseph Delhalle", title = "Long-range interactions in periodic helices. {A} method for accurate calculation at the {Hartree--Fock} level", journal = j-IJQC, volume = "18", number = "S14", pages = "405--418", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Andre:1980:ALC, author = "J.-M. Andr{\'e} and J.-L. Br{\'e}das and J. Delhalle and Y. Kalenov and L. Piela and J. L. Calais", title = "{AMO} in linear chains of hydrogen atoms revisited", journal = j-IJQC, volume = "18", number = "S14", pages = "419--429", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Delhalle:1980:ULT, author = "Joseph Delhalle and Joseph G. Fripiat and Lucjan Piela", title = "On the use of {Laplace} transform to evaluate one-dimensional lattice summations in quantum calculations of model polymers", journal = j-IJQC, volume = "18", number = "S14", pages = "431--442", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kattija-Ari:1980:MSC, author = "Mano Kattija-Ari and Marlin D. Harmony", title = "The microwave spectrum and conformation of hydroxyacetone: {The} influence of hydrogen bonding on the barrier to internal rotation of the methyl group", journal = j-IJQC, volume = "18", number = "S14", pages = "443--453", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brener:1980:EPS, author = "N. E. Brener and J. L. Fry and T. C. Collins", title = "Excitations of the {$N$}-particle system in the generalized random phase approximation", journal = j-IJQC, volume = "18", number = "S14", pages = "455--460", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Murgich:1980:CBC, author = "J. Murgich and Y. Aray", title = "Correlation between the {CN} stretching force constant and the electric field gradient at the {N} nucleus in some nitriles", journal = j-IJQC, volume = "18", number = "S14", pages = "461--461", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kertesz:1980:NEC, author = "Miklos Kertesz and Joze Koller and Andrej Azman", title = "Need for electronic correlation calculations in polymers", journal = j-IJQC, volume = "18", number = "S14", pages = "463--466", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bacic:1980:ACR, author = "Zlatko Ba{\v{c}}i{\'c} and Jack Simons", title = "Application of the coordinate rotation method to metastable atom-diatom scattering resonances", journal = j-IJQC, volume = "18", number = "S14", pages = "467--475", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Flannery:1980:CTT, author = "M. R. Flannery", title = "Charge transfer in three-body ion-ion recombination at low gas densities", journal = j-IJQC, volume = "18", number = "S14", pages = "477--482", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nalewajski:1980:UVT, author = "Roman F. Nalewajski", title = "Use of the virial theorem in modeling the potential energy surfaces for triatomic collinear reactions", journal = j-IJQC, volume = "18", number = "S14", pages = "483--492", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Weatherford:1980:AAE, author = "C. A. Weatherford and B. L. Jain", title = "An analytic approach to electron-molecule potentials using {STOs}", journal = j-IJQC, volume = "18", number = "S14", pages = "493--502", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Knop:1980:CGT, author = "J. V. Knop and N. Trinajsti{\'c}", title = "Chemical graph theory. {II}. {On} the graph theoretical polynomials of conjugated structures", journal = j-IJQC, volume = "18", number = "S14", pages = "503--520", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tang:1980:LAM, author = "Au-Chin Tang and Chia-Chung Sun and Bei-Foo Li", title = "{Lie} algebra and molecular shell model. {I}", journal = j-IJQC, volume = "18", number = "S14", pages = "521--540", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kiang:1980:DAM, author = "Yuan-Sun Kiang", title = "Determinant of adjacency matrix and {Kekul{\'e}} structures", journal = j-IJQC, volume = "18", number = "S14", pages = "541--547", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Guo-Sen:1980:GTF, author = "Yan Guo-Sen", title = "The graph theoretical formulas for determinant expansions", journal = j-IJQC, volume = "18", number = "S14", pages = "549--555", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Randic:1980:SPG, author = "Milan Randi{\'c}", title = "Symmetry properties of graphs of interest in chemistry. {III}. {Homotetrahedryl} rearrangement", journal = j-IJQC, volume = "18", number = "S14", pages = "557--577", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Satoh:1980:ECG, author = "Mitsuo Satoh and Toshihiko Taki", title = "Electric center of gravity of overlap charge distribution in impurity-doped ionic crystals", journal = j-IJQC, volume = "18", number = "S14", pages = "579--583", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kunz:1980:TES, author = "A. Barry Kunz and R. S. Weidman and J. Boettger and G. Cochran", title = "Theory of electronic states in narrow-band materials: {Applications} to solids, argon, {CuCl}, and {CdS}", journal = j-IJQC, volume = "18", number = "S14", pages = "585--596", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Oriade:1980:BQM, author = "Joseph Oriade", title = "Biquadratic quasianalytic methods for {Brillouin} zone integration", journal = j-IJQC, volume = "18", number = "S14", pages = "597--605", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Allen:1980:TCE, author = "Roland E. Allen and Harold P. Hjalmarson and Helmut B{\"u}ttner and Peter Vogl and Donald J. Wolford and Otto F. Sankey and John D. Dow", title = "Theory of core exciton binding energies for excitons near interfaces", journal = j-IJQC, volume = "18", number = "S14", pages = "607--615", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gortel:1980:QST, author = "Z. W. Gortel and H. J. Kreuzer", title = "Quantum statistical theory of localized physisorption", journal = j-IJQC, volume = "18", number = "S14", pages = "617--628", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Avery:1980:TIDb, author = "John Avery and Per-Johan {\O}rmen", title = "Transferable integrals in a deformation density approach to crystal orbital calculations. {V}. {Coupling} coefficients for crystal symmetry functions", journal = j-IJQC, volume = "18", number = "S14", pages = "629--636", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kitagawa:1980:PST, author = "M. Kitagawa and Y. H. Ohtsuki", title = "Plasma solitons trailing moving ions", journal = j-IJQC, volume = "18", number = "S14", pages = "637--644", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fry:1980:EPS, author = "J. L. Fry and N. E. Brener and J. D. Mcnutt", title = "Electron and positron states on the (001) surface of paramagnetic chromium", journal = j-IJQC, volume = "18", number = "S14", pages = "645--649", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Callaway:1980:STD, author = "Joseph Callaway and S. P. Singhal", title = "Scattering theory of defects in solids: {Theory} and application to the atomic vacancy", journal = j-IJQC, volume = "18", number = "S14", pages = "651--663", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gabbay:1980:MSI, author = "I. Gabbay and N. H. March", title = "Metal surfaces in interaction with molecular adsorbates", journal = j-IJQC, volume = "18", number = "S14", pages = "665--679", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mccaskill:1980:DAI, author = "J. S. Mccaskill and N. H. March", title = "Dynamics of adatoms interacting with metals and metal surfaces: {The} validity of the description given by {Kramers}' equation", journal = j-IJQC, volume = "18", number = "S14", pages = "681--693", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Karo:1980:SRD, author = "Arnold M. Karo and John R. Hardy", title = "Shock and reaction dynamics in condensed materials", journal = j-IJQC, volume = "18", number = "S14", pages = "695--695", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Koutecky:1980:SPS, author = "J. Kouteck{\'y}", title = "Some problems of surface quantum chemistry", journal = j-IJQC, volume = "18", number = "S14", pages = "696--696", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pettitt:1980:TCP, author = "B. Montgomery Pettitt and Shridhar R. Gadre and Robert L. Matcha", title = "Theoretical {Compton} profile anisotropics in molecules and solids. {VIII}. {Vibrational}, rotational, and temperature-dependent diatomic alkali halide anisotropics", journal = j-IJQC, volume = "18", number = "S14", pages = "697--706", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180871", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mintmire:1980:LDF, author = "J. W. Mintmire and J. R. Sabin", title = "Local density functional methods in two-dimensionally periodic systems. {I}. {The} atomic hydrogen monolayer", journal = j-IJQC, volume = "18", number = "S14", pages = "707--713", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180872", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sears:1980:PCC, author = "V. F. Sears and E. C. Svensson", title = "Pair correlations and the condensate fraction in superfluid {$^4$He}", journal = j-IJQC, volume = "18", number = "S14", pages = "715--721", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180873", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Enz:1980:WIM, author = "Charles P. Enz", title = "Weak itinerant magnetism, new developments: {TiBe$_2$}", journal = j-IJQC, volume = "18", number = "S14", pages = "723--727", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180874", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Matthias:1980:SE, author = "Bernd T. Matthias", title = "Superconductivity and eutectics", journal = j-IJQC, volume = "18", number = "S14", pages = "729--730", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180875", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1980:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "18", number = "S14", pages = "fmi--fmi", day = "10--20", month = mar, year = "1980", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560180801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 12:51:49 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, Quantum Statistics, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Duprez-Quesnoit:1981:DIM, author = "C. Duprez-Quesnoit", title = "Definition of invariant molecular tensors in an origin change. {III}. {Comparison} of the methods suitable for the obtainment of invariant tensors for refraction and the {Faraday} effect", journal = j-IJQC, volume = "19", number = "2", pages = "191--205", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Banerjee:1981:CCM, author = "Ajit Banerjee and Jack Simons", title = "The coupled-cluster method with a multiconfiguration reference state", journal = j-IJQC, volume = "19", number = "2", pages = "207--216", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gianturco:1981:VIS, author = "F. A. Gianturco and U. T. Lamanna and F. Battaglia", title = "Vibrationally inelastic scattering and relaxation times in gaseous {HF}", journal = j-IJQC, volume = "19", number = "2", pages = "217--236", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Linderberg:1981:ARR, author = "Jan Linderberg", title = "Algebraic Reductions of the Real Symmetric $4 \times 4$ Secular Problem", journal = j-IJQC, volume = "19", number = "2", pages = "237--249", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dyadyusha:1981:ASFa, author = "G. G. Dyadyusha and E. S. Kryachko", title = "Algebraic structure of fermion density matrices. {I}", journal = j-IJQC, volume = "19", number = "2", pages = "251--257", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hiberty:1981:AMO, author = "P. C. Hiberty", title = "Analysis of molecular orbital wave functions in terms of valence bond functions for molecular fragments. {I}. {Theory}", journal = j-IJQC, volume = "19", number = "2", pages = "259--269", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{McDowell:1981:UNO, author = "Keith McDowell", title = "Use of noncanonical orbitals in many-body perturbation theory", journal = j-IJQC, volume = "19", number = "2", pages = "271--282", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dutta:1981:SCC, author = "Dilip K. Dutta and Sankar Sengupta", title = "Self-consistent calculation of $1s 2s^3$ {S} state of helium and heliumlike ions", journal = j-IJQC, volume = "19", number = "2", pages = "283--291", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katriel:1981:MBL, author = "J. Katriel and C. J. Appellof and E. R. Davidson", title = "Mapping between local potentials and ground state densities", journal = j-IJQC, volume = "19", number = "2", pages = "293--300", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cimiraglia:1981:SCH, author = "Renzo Cimiraglia and Raffaele Resta", title = "Study of correlation holes. {II}. {CI} calculations on model polyatomic systems", journal = j-IJQC, volume = "19", number = "2", pages = "301--318", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roeggen:1981:APG, author = "I. R{\o}eggen", title = "Antisymmetric product of geminals in the context of the method of moments", journal = j-IJQC, volume = "19", number = "2", pages = "319--335", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ulmer:1981:ESM, author = "W. Ulmer", title = "Electronic structure of the metabolites of cyclophosphamide", journal = j-IJQC, volume = "19", number = "2", pages = "337--359", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ischenko:1981:NFD, author = "S. Ya. Ischenko and V. B. Pavlov-Verevkin", title = "New finite-difference method for solving the pair radial equations of the many electron perturbation theory", journal = j-IJQC, volume = "19", number = "2", pages = "361--372", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sen:1981:SDQ, author = "K. D. Sen and P. C. Schmidt", title = "Static dipole and quadrupole polarizabilities of alkaline earth atoms", journal = j-IJQC, volume = "19", number = "2", pages = "373--376", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "19", number = "2", pages = "fmi--fmii", month = feb, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gustav:1981:SSS, author = "Klaus Gustav and Roland Colditz", title = "Suitability of a square step potential as an oscillator potential", journal = j-IJQC, volume = "19", number = "3", pages = "379--381", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abu-Eittah:1981:MOT, author = "Rafie Abu-Eittah and Rifaat Hilal and Maher M. Hamed", title = "Molecular orbital treatment of phenylfurans and bifurans", journal = j-IJQC, volume = "19", number = "3", pages = "383--399", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gutowski:1981:AEE, author = "Maciej Gutowski and Ma{\l}gorzata K{\k{a}}kol and Jan Andzelm and Lucjan Piela", title = "Approximate exchange and electrostatic interaction energies of deformed ions", journal = j-IJQC, volume = "19", number = "3", pages = "401--411", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ruttink:1981:GGB, author = "Paul J. A. Ruttink", title = "Generation of generalized branching diagram spin functions by {Schmidt} orthogonalization of spin-paired functions", journal = j-IJQC, volume = "19", number = "3", pages = "413--426", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lieb:1981:ILB, author = "Elliott H. Lieb and Stephen Oxford", title = "Improved lower bound on the indirect {Coulomb} energy", journal = j-IJQC, volume = "19", number = "3", pages = "427--439", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Suck:1981:KDT, author = "Sung Ho Suck", title = "The kernel of {DWBA} transition amplitude in atom--diatom reactive scattering", journal = j-IJQC, volume = "19", number = "3", pages = "441--450", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Miyoshi:1981:TSE, author = "Eisaku Miyoshi and Toshikazu Takada and Shigeru Obara and Hiroshi Kashiwagi and Kimio Ohno", title = "Theoretical study of excitation energies of some {CoF$_6^{n-}$} complexes", journal = j-IJQC, volume = "19", number = "3", pages = "451--461", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blake:1981:MCC, author = "I. Ortega Blake and A. Le{\'s}", title = "Magnesium and calcium cation--ligand interactions within the pseudopotential approach. {II}. {Cation--GABA} interactions", journal = j-IJQC, volume = "19", number = "3", pages = "463--475", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1981:AVP, author = "P. Csavinszky and C. E. Tarr", title = "Addendum to {``Variational principle for obtaining approximate analytical solutions of the temperature-perturbed Thomas--Fermi equation for compressed atoms''}", journal = j-IJQC, volume = "19", number = "3", pages = "477--481", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taylor:1981:VTG, author = "William J. Taylor", title = "Variational treatment of the ground state of the hydrogenic atom using the trial function {$\varphi = A \exp(-\alpha r^\nu)$}", journal = j-IJQC, volume = "19", number = "3", pages = "483--484", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{De:1981:CSS, author = "B. R. De and A. B. Sannigrahi", title = "Comparative study of the structure and properties of {ClF$_2$} and {Cl$_3$} radicals by {CNDO/2} and {INDO} methods", journal = j-IJQC, volume = "19", number = "3", pages = "485--488", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nalewajski:1981:E, author = "Roman F. Nalewajski", title = "Erratum", journal = j-IJQC, volume = "19", number = "3", pages = "489--489", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "19", number = "3", pages = "fmi--fmii", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fantucci:1981:DEM, author = "Piercarlo Fantucci and Stefano Polezzo and Laura Trombetta", title = "Direct energy minimization of self-consistent electron pair by an orthogonal transformation of the basis", journal = j-IJQC, volume = "19", number = "4", pages = "493--500", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gaspar:1981:IMF, author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar", title = "Ab initio molecular fragment calculations with pseudopotentials. {Some} fragments containing nitrogen and oxygen", journal = j-IJQC, volume = "19", number = "4", pages = "501--503", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dyadyusha:1981:ASFb, author = "G. G. Dyadyusha and Eugene S. Kryachko", title = "Algebraic structure of fermion density matrices. {II}", journal = j-IJQC, volume = "19", number = "4", pages = "505--514", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mukhopadhyay:1981:SCM, author = "A. K. Mukhopadhyay and N. G. Mukherjee", title = "Self-Consistent methods in {H{\"u}ckel} and extended {H{\"u}ckel} theories", journal = j-IJQC, volume = "19", number = "4", pages = "515--519", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1981:HAEa, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Hypervirial analysis of enclosed quantum mechanical systems. {I}. {Dirichlet} boundary conditions", journal = j-IJQC, volume = "19", number = "4", pages = "521--532", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1981:HAEb, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Hypervirial analysis of enclosed quantum mechanical systems. {II}. {von Neumann} boundary conditions and periodic potentials", journal = j-IJQC, volume = "19", number = "4", pages = "533--543", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adamowicz:1981:BSG, author = "Ludwik Adamowicz", title = "Basis set generation for the {SCF} calculation", journal = j-IJQC, volume = "19", number = "4", pages = "545--551", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smeyers:1981:IDN, author = "Yves G. Smeyers and M. Nieves Bellido", title = "Internal dynamics of nonrigid molecules. {I}. {Application} to acetone", journal = j-IJQC, volume = "19", number = "4", pages = "553--565", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1981:EFO, author = "Herbert W. Jones", title = "Exact formulas for overlap integrals of {Slater}-type orbitals with equal screening constants", journal = j-IJQC, volume = "19", number = "4", pages = "567--574", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Deshmukh:1981:EEM, author = "Pranawa Deshmukh and Jan Linderberg", title = "Extension of {EWMO} model to particle-hole excitations", journal = j-IJQC, volume = "19", number = "4", pages = "575--584", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beran:1981:AGO, author = "S. Beran and Z. Slanina and D. C. Zidarov", title = "Automatic geometry optimization for molecules with $d$ orbitals. {III}. {The EHT} method with electrostatic corrections", journal = j-IJQC, volume = "19", number = "4", pages = "585--591", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Basil:1981:ARE, author = "Sherif El-Basil", title = "Additivity of resonance energy in benzenoid hydrocarbons", journal = j-IJQC, volume = "19", number = "4", pages = "593--609", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Basilevsky:1981:DCR, author = "M. V. Basilevsky and V. M. Ryaboy", title = "Direct calculation of resonant states in reactive scattering. {Application} to linear triatomic systems", journal = j-IJQC, volume = "19", number = "4", pages = "611--635", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Novaro:1981:TBP, author = "O. Novaro and S. Castillo and W. Ko{\l}os and A. Le{\'s}", title = "Three-body potential energy terms for methane trimers", journal = j-IJQC, volume = "19", number = "4", pages = "637--648", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bauschlicher:1981:ICF, author = "Charles W. {Bauschlicher, Jr.} and Byron H. {Lengsfield III}", title = "Improved {CI} formula evaluation: Elimination of the phase determination at the determinant level for arbitrarily coupled {CSFs}", journal = j-IJQC, volume = "19", number = "4", pages = "649--654", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Varracchio:1981:EPT, author = "E. Ficocelli Varracchio", title = "Effective potential theory of atom--diatom scattering in the presence of ``intermediate'' reactive channels", journal = j-IJQC, volume = "19", number = "4", pages = "655--671", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonchev:1981:ITI, author = "D. Bonchev", title = "Information theory interpretation of the {Pauli} principle and {Hund} rule", journal = j-IJQC, volume = "19", number = "4", pages = "673--679", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DaCunhaLima:1981:SCAa, author = "I. C. {Da Cunha Lima} and A. Ferreira {Da Silva} and N. J. Parada", title = "Self-Consistent {APW}--$k \cdot p$ method. {I}. {Theory}", journal = j-IJQC, volume = "19", number = "4", pages = "681--691", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190419", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poirier:1981:UQGa, author = "R. A. Poirier and R. Daudel and I. G. Csizmadia", title = "Uniform quality {Gaussian} basis sets for molecular calculations. {III}. {Charge} optimized basis sets", journal = j-IJQC, volume = "19", number = "4", pages = "693--710", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190420", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poirier:1981:UQGb, author = "Raymond A. Poirier and Raymond Daudel and Imre G. Csizmadia", title = "Uniform quality {Gaussian} basis sets for molecular calculations. {IV}. {Gradient} and charged optimized basis sets for {CH$_4$}", journal = j-IJQC, volume = "19", number = "4", pages = "711--718", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190421", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Les:1981:E, author = "A. Le{\'s} and I. Ortega Blake", title = "Erratum", journal = j-IJQC, volume = "19", number = "4", pages = "719--720", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190422", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "19", number = "4", pages = "fmi--fmii", month = apr, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1981:FSB, author = "Joseph Oriade", title = "The {Fermi} surface of beryllium", journal = j-IJQC, volume = "19", number = "5", pages = "721--727", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ganas:1981:OOS, author = "P. S. Ganas", title = "Optical oscillator strengths for isoelectronic ions of nitrogen", journal = j-IJQC, volume = "19", number = "5", pages = "729--734", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharyya:1981:SOE, author = "Sankar Prasad Bhattacharyya", title = "A scaled ``one-electron {Hamiltonian}'' model for open-shell {LCAO--MO--SCF} calculations", journal = j-IJQC, volume = "19", number = "5", pages = "735--743", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Heffernan:1981:ESI, author = "Daniel M. Heffernan and Richard L. Liboff", title = "Exact solutions for interacting finite potential wells", journal = j-IJQC, volume = "19", number = "5", pages = "745--753", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hunter:1981:NWF, author = "Geoffrey Hunter", title = "Nodeless wave functions and spiky potentials", journal = j-IJQC, volume = "19", number = "5", pages = "755--761", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dmitriev:1981:CPT, author = "Yu. Dmitriev and G. Peinel", title = "Coupled perturbation theory within the antisymmetrized product of separated geminals ({APSG}) framework", journal = j-IJQC, volume = "19", number = "5", pages = "763--769", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moffat:1981:SSE, author = "J. B. Moffat", title = "Structures, stabilities, and energies of isomerization of some alkyl cyanides and isocyanides and their corresponding $\alpha$-cyanocarbonium and $\alpha$-isocyanocarbonium ions", journal = j-IJQC, volume = "19", number = "5", pages = "771--779", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tyrrell:1981:BAA, author = "J. Tyrrell and R. B. Weinstock and F. Weinhold", title = "Bond--antibond analysis of internal rotation barriers in glyoxal and related molecules: {Where INDO} fails", journal = j-IJQC, volume = "19", number = "5", pages = "781--791", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stepanov:1981:UTU, author = "N. F. Stepanov", title = "Unitary transformations with the unitary operators depending on projection operators", journal = j-IJQC, volume = "19", number = "5", pages = "793--803", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hilal:1981:TDDa, author = "Rifaat Hilal", title = "Thermal dissociation of 1,2-dioxethane. {I}. {Charge} density distribution along the reaction path and in different {HF} solutions", journal = j-IJQC, volume = "19", number = "5", pages = "805--819", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hilal:1981:TDDb, author = "Rifaat Hilal", title = "Thermal dissociation of 1,2-dioxethane. {II}. {Quantum} topology of the charge distributions", journal = j-IJQC, volume = "19", number = "5", pages = "821--831", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hilal:1981:TDDc, author = "Rifaat Hilal", title = "Thermal dissociation of 1,2-dioxethane. {III}. {Localized} molecular-orbital study", journal = j-IJQC, volume = "19", number = "5", pages = "833--845", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grelland:1981:LEA, author = "Hans H. Grelland", title = "$n$-{Local} energies as accuracy measures on approximate wave functions", journal = j-IJQC, volume = "19", number = "5", pages = "847--857", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Singh:1981:DNJ, author = "Jai Singh", title = "Dynamic nonlinear {Jahn--Teller} effect of the type {$E\otimes\epsilon$}", journal = j-IJQC, volume = "19", number = "5", pages = "859--871", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grelland:1981:ERA, author = "Hans H. Grelland", title = "An {Einstein} relativistic atomic and molecular model based on the {Horwitz--Piron--Reuse} theory", journal = j-IJQC, volume = "19", number = "5", pages = "873--883", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Muller:1981:UIN, author = "Jiri M{\"u}ller", title = "Use of iterative natural orbital method for calculating energy barrier to predissociation of the first excited states of {NH$_3$ (3s$^{1, 3}$ A$^{\prime\prime}_2$)}", journal = j-IJQC, volume = "19", number = "5", pages = "885--889", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lipinski:1981:GOS, author = "J{\'o}zef Lipi{\'n}ski and Henryk Chojnacki", title = "Ghost orbitals in semiempirical methods. {Estimation} of basis set superposition error", journal = j-IJQC, volume = "19", number = "5", pages = "891--900", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Atabek:1981:MQS, author = "O. Atabek and R. Lefebvre", title = "Multichannel quantization and the static {Stark} effect", journal = j-IJQC, volume = "19", number = "5", pages = "901--906", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190519", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Daudey:1981:ACE, author = "J. P. Daudey and M. Berrondo", title = "Atomic calculations with an effective one-body potential", journal = j-IJQC, volume = "19", number = "5", pages = "907--927", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190520", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mekenyan:1981:ACB, author = "Ov. Mekenyan and D. Bonchev and N. Trinajsti{\'c}", title = "Algebraic characterization of bridged polycyclic compounds", journal = j-IJQC, volume = "19", number = "5", pages = "929--955", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190521", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1981:TPD, author = "P. Csavinszky and R. A. Morrow", title = "Theory of the potential of a donor ion in silicon", journal = j-IJQC, volume = "19", number = "5", pages = "957--966", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190522", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Castro:1981:SCA, author = "Eduardo A. Castro and Francisco M. Fern{\'a}ndez", title = "Some comments about the effective utilization of off-diagonal hypervirial relations considering the diagonal hypervirial relation: {Harmonic} oscillator case", journal = j-IJQC, volume = "19", number = "5", pages = "967--968", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190523", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wold:1981:BRB, author = "Svante Wold", title = "Book Review: {{\booktitle{Factor analysis in chemistry}}. E. R. Malinowski and D. G. Howery. Wiley-Interscience, New York, 1980. 250 pp., Price: \$26.25}", journal = j-IJQC, volume = "19", number = "5", pages = "969--969", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190524", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Malinowski:1980:FAC,Malinowski:1989:FAC,Malinowski:1991:FAC,Malinowski:2002:FAC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "19", number = "5", pages = "fmi--fmii", month = may, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:36 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1981:P, author = "Per-Olov L{\"o}wdin", title = "Preface", journal = j-IJQC, volume = "19", number = "6", pages = "973--973", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DelRe:1981:I, author = "Giuseppe {Del Re}", title = "Introduction", journal = j-IJQC, volume = "19", number = "6", pages = "975--976", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mangoni:1981:OS, author = "Lorenzo Mangoni", title = "Opening statement", journal = j-IJQC, volume = "19", number = "6", pages = "977--977", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DelRe:1981:BUN, author = "Giuseppe {Del Re}", title = "Binding: a unifying notion or a pseudoconcept?", journal = j-IJQC, volume = "19", number = "6", pages = "979--984", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Berthier:1981:CSC, author = "G. Berthier", title = "Comments on the status of the chemical bond in methods of quantum chemistry", journal = j-IJQC, volume = "19", number = "6", pages = "985--989", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lafourcade:1981:ICB, author = "L. Lafourcade", title = "Importance of the concept of bond and binding in the physical chemistry of solids", journal = j-IJQC, volume = "19", number = "6", pages = "991--1000", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cianetti:1981:RTB, author = "Elvio Cianetti", title = "Remarks on technology and bonding", journal = j-IJQC, volume = "19", number = "6", pages = "1001--1002", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ciambelli:1981:BTF, author = "Paolo Ciambelli", title = "``Binding'' technology and fundamental research: {Some} cases in catalysis", journal = j-IJQC, volume = "19", number = "6", pages = "1003--1010", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wedler:1981:EEC, author = "G. Wedler", title = "Experimental evidence on the chemisorption bond with the chemisorption on metals", journal = j-IJQC, volume = "19", number = "6", pages = "1011--1016", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kern:1981:EEC, author = "R. Kern", title = "Experimental evidence on the chemisorption bond of two- and one-dimensional boundaries", journal = j-IJQC, volume = "19", number = "6", pages = "1017--1025", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wedler:1981:IAH, author = "G. Wedler and W. Draxler", title = "Influence of the adsorption of hydrogen on the transport properties of thin nickel films", journal = j-IJQC, volume = "19", number = "6", pages = "1027--1030", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laforgue-Kantzer:1981:SIN, author = "D. Laforgue-Kantzer", title = "State of ions near a cathode: {Adions} or adatoms?", journal = j-IJQC, volume = "19", number = "6", pages = "1031--1041", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Iadonisi:1981:PAC, author = "G. Iadonisi and V. Marigliano Ramaglia and B. Preziosi", title = "Physical approach to chemisorption through {Green}'s function method", journal = j-IJQC, volume = "19", number = "6", pages = "1043--1056", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barbier:1981:BPF, author = "C. Barbier and C. Vincent and G. {Del Re}", title = "Bond polarization in the {FeCO} system: {Semiempirical} {MO--SCF} ({BMV}) calculations", journal = j-IJQC, volume = "19", number = "6", pages = "1057--1063", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Borello:1981:MCS, author = "E. Borello", title = "Metal clusters and surfaces", journal = j-IJQC, volume = "19", number = "6", pages = "1065--1081", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seel:1981:MCO, author = "M. Seel", title = "From molecular crystals and organic polymers to chemisorption processes: {Importance} of local interactions", journal = j-IJQC, volume = "19", number = "6", pages = "1083--1098", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Martin:1981:MIC, author = "T. P. Martin", title = "Matrix isolated clusters and microcrystals", journal = j-IJQC, volume = "19", number = "6", pages = "1099--1103", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Andre:1981:SAB, author = "J. M. Andr{\'e} and J. L. Br{\'e}das and J. Delhalle", title = "Some aspects of bonding and binding in polymeric chains", journal = j-IJQC, volume = "19", number = "6", pages = "1105--1111", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karpfen:1981:HBC, author = "A. Karpfen and A. Beyer and P. Schuster", title = "Hydrogen bonding in clusters and molecular crystals", journal = j-IJQC, volume = "19", number = "6", pages = "1113--1119", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Peters:1981:SRD, author = "David Peters and Jane Peters", title = "Some recent developments in the quantum theory of hydrogen bonding and other effects in proteins", journal = j-IJQC, volume = "19", number = "6", pages = "1121--1132", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190621", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Careri:1981:MAH, author = "G. Careri and A. Giansanti and E. Gratton", title = "Molecular aspects of the hydration process in a globular protein", journal = j-IJQC, volume = "19", number = "6", pages = "1133--1135", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190622", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barone:1981:RBH, author = "G. Barone", title = "Relations between the hydration and the intermolecular or intramolecular solute--solute interactions", journal = j-IJQC, volume = "19", number = "6", pages = "1137--1138", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190623", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonapasta:1981:PES, author = "A. Amore Bonapasta and M. Bossa and A. Lapiccirella", title = "Potential energy surface of the system {CO} + {O}: {An} ab initio study on the {O CO} bond formation", journal = j-IJQC, volume = "19", number = "6", pages = "1139--1145", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190624", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sandorfy:1981:RSC, author = "C. Sandorfy", title = "{Rydberg} states in chemistry", journal = j-IJQC, volume = "19", number = "6", pages = "1147--1156", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190625", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sbrana:1981:SPT, author = "G. Sbrana and L. Angeloni and S. Panerai", title = "Spectroscopic properties of {TCNQ--bifluorenylidene} 1:1 complex", journal = j-IJQC, volume = "19", number = "6", pages = "1157--1160", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190626", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bertoluzza:1981:CBS, author = "A. Bertoluzza and A. Marinangeli and M. A. Morelli and R. Simoni", title = "Correlations between structure and properties of materials. {X}. {Anomalous} optical properties and {Raman} spectra of glassy ternary {B$_2$O$_3$BaTiO$_3$\bond{}Na$_2$O} materials", journal = j-IJQC, volume = "19", number = "6", pages = "1161--1165", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190627", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bertholon:1981:GCB, author = "G. Bertholon and C. Decoret and M. Perrin and J. Royer and A. Thozet and B. Tinland", title = "Geometries of the chemical bonds around the hydroxyl group in a series of phenolic compounds", journal = j-IJQC, volume = "19", number = "6", pages = "1167--1170", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190628", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Serre:1981:MMB, author = "Josiane Serre", title = "Metal--metal bonds", journal = j-IJQC, volume = "19", number = "6", pages = "1171--1183", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190629", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garbato:1981:BMS, author = "L. Garbato and P. Manca and G. Mula", title = "Bond model for semiconducting materials", journal = j-IJQC, volume = "19", number = "6", pages = "1185--1189", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190630", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garbato:1981:DSB, author = "L. Garbato and P. Manca and A. Spiga", title = "Diamagnetism as a structure and bonding related property in semiconductors", journal = j-IJQC, volume = "19", number = "6", pages = "1191--1196", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190631", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barone:1981:NAU, author = "Vincenzo Barone and Francesco Lelj and Nino Russo", title = "Nonempirical analysis of unusual chemical bonds. {II}. {AlH$_2$BH$_4$} and {AlH$_2$C$_3$H$_5$}", journal = j-IJQC, volume = "19", number = "6", pages = "1197--1201", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190632", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aasbrink:1981:CBM, author = "L. {\AA}sbrink and C. Fridh and E. Lindholm", title = "Concept of bond in the {MO} method {HAM}", journal = j-IJQC, volume = "19", number = "6", pages = "1203--1206", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190633", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karpfen:1981:CPI, author = "Alfred Karpfen", title = "Convergence problem in ab initio crystal orbital calculations", journal = j-IJQC, volume = "19", number = "6", pages = "1207--1214", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190634", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mestechkin:1981:E, author = "M. M. Mestechkin", title = "Erratum", journal = j-IJQC, volume = "19", number = "6", pages = "1221--1221", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190635", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "19", number = "6", pages = "fmi--fmii", month = jun, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560190601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gupta:1981:DCP, author = "V. D. Gupta", title = "Dynamics and conformation of polypeptides", journal = j-IJQC, volume = "20", number = "1", pages = "9--21", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hosur:1981:PNA, author = "Ramakrishna V. Hosur and N. Vasanth Kumar and Girjesh Govil", title = "Protein--Nucleic acid interactions: {Investigations} on the peptide backbone interaction with polynucleotides", journal = j-IJQC, volume = "20", number = "1", pages = "23--32", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hosur:1981:PBI, author = "Ramakrishna V. Hosur and A. Pohorille", title = "Protein backbone interaction with nucleic acid base pairs: a theoretical investigation", journal = j-IJQC, volume = "20", number = "1", pages = "33--40", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Montenay-Garestier:1981:CFB, author = "T. Montenay-Garestier and J. C. Brochon and C. H{\'e}l{\`e}ne", title = "Complex formation between tryptophan-containing peptides and nucleic acids: {Fluorescence} decay studies using synchrotron radiation", journal = j-IJQC, volume = "20", number = "1", pages = "41--48", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lavery:1981:SAR, author = "Richard Lavery and Alberte Pullman and Bernard Pullman", title = "Steric accessibility of reactive centers in {B-DNA}", journal = j-IJQC, volume = "20", number = "1", pages = "49--62", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sanyal:1981:SSI, author = "Nitish K. Sanyal and Mihir Roychoudhury", title = "Studies in some important aspects of {RNA} transcription on the basis of intermolecular energy calculations", journal = j-IJQC, volume = "20", number = "1", pages = "63--69", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Durani:1981:PBS, author = "S. Durani and Nitya Anand", title = "A possible basis for structure--function relationship of estrogens", journal = j-IJQC, volume = "20", number = "1", pages = "71--83", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Phadke:1981:SFP, author = "Ratna S. Phadke and N. Vasanth Kumar and R. V. Hosur and Anil Saran and Girjesh Govil", title = "Structure and function of propranolol: a $\beta$-adrenergic blocking drug", journal = j-IJQC, volume = "20", number = "1", pages = "85--92", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lala:1981:CPM, author = "Anil K. Lala", title = "Cholesterol and phospholipids in membranes: {The} hydrogen bonding problem", journal = j-IJQC, volume = "20", number = "1", pages = "93--97", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Biswas:1981:CAS, author = "Margaret Biswas and V. S. R. Rao", title = "Conformational analysis of some mannose-containing and milk oligosaccharides: {Correlation} of their shape with inhibitory properties in antigen\slash antibody interactions", journal = j-IJQC, volume = "20", number = "1", pages = "99--121", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumar:1981:EMS, author = "Kamal Kumar and Mahesh C. Bindal and Prithvi Singh and Satya P. Gupta", title = "Effect of molecular size on carbonic anhydrase inhibition by sulfonamides", journal = j-IJQC, volume = "20", number = "1", pages = "123--129", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seydel:1981:MAQ, author = "J. K. Seydel", title = "Mode of action and quantitative structure--activity relationship of sulfonamides in biological systems of different complexity (enzymes, bacteria, rat, and human)", journal = j-IJQC, volume = "20", number = "1", pages = "131--150", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Raghunathan:1981:SAR, author = "S. Raghunathan and Vasantha Pattabhi", title = "Structure--Activity relationships in auxins", journal = j-IJQC, volume = "20", number = "1", pages = "151--158", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sanyal:1981:BAN, author = "Nitish K. Sanyal and Mihir Roychoudhury and Rajendra P. Ojha", title = "Biological activity of the nucleoside analogs: a theoretical study", journal = j-IJQC, volume = "20", number = "1", pages = "159--166", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kothekar:1981:SMM, author = "V. Kothekar", title = "Specificity and molecular mechanism of abortificient action of prostaglandins", journal = j-IJQC, volume = "20", number = "1", pages = "167--178", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sanyal:1981:IES, author = "Nitish K. Sanyal and Upendra Kumar and Mihir Roychoudhury", title = "Interaction energy studies for the specificity of transcription", journal = j-IJQC, volume = "20", number = "1", pages = "179--183", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ghosh:1981:EBS, author = "Subhendu Ghosh and Anjali Mookerjee", title = "Estimation of binding sites from the adsorption profile of complexed {DNA}", journal = j-IJQC, volume = "20", number = "1", pages = "185--198", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kannan:1981:SRF, author = "K. K. Kannan and M. Ramanadham", title = "Structure, refinement, and function of human carbonic anhydrase-{B}", journal = j-IJQC, volume = "20", number = "1", pages = "199--209", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jayaraman:1981:PPL, author = "S. Jayaraman and N. Yathindra", title = "Probing possible left- and right-handed poly(dinucleotide) helical conformations from (n--h) plots. models for polysequential nucleotides", journal = j-IJQC, volume = "20", number = "1", pages = "211--230", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sokalski:1981:TME, author = "W. Andrzej Sokalski", title = "Theoretical model for exploration of catalytic activity of enzymes and design of new catalysts: {CO$_2$} hydration reaction", journal = j-IJQC, volume = "20", number = "1", pages = "231--240", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200121", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Malathi:1981:VBP, author = "R. Malathi and N. Yathindra", title = "Virtual bond probe to study ordered and random coil conformations of nucleic acids", journal = j-IJQC, volume = "20", number = "1", pages = "241--257", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200122", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lavery:1981:MEP, author = "Richard Lavery and Bernard Pullman", title = "Molecular electrostatic potential on the surface envelopes of macromolecules: {B-DNA}", journal = j-IJQC, volume = "20", number = "1", pages = "259--272", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200123", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rao:1981:CME, author = "Gita Subba Rao and R. S. Tyagi and R. K. Mishra", title = "Calculation of the minimum energy conformation of acetylcholine using a global optimization technique", journal = j-IJQC, volume = "20", number = "1", pages = "273--279", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200124", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "1", pages = "fmi--fmii", month = jul, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Marchenko:1981:DDR, author = "T. V. Marchenko and V. M. Lipkin and O. Yu. Chertov and E. D. Sverdlov and Yu. A. Ovchinnikov", title = "{DNA}-dependent {RNA} polymerase from {{\em E. coli}}: {Structure} investigation", journal = j-IJQC, volume = "20", number = "2", pages = "283--289", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grishin:1981:SFB, author = "E. V. Grishin", title = "Structure and function of {{\em Buthus eupeus}} scorpion neurotoxins", journal = j-IJQC, volume = "20", number = "2", pages = "291--298", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Langlet:1981:IBN, author = "J. Langlet and P. Claverie and F. Caron and J. C. Boeuve", title = "Interactions between nucleic acid bases in hydrogen bonded and stacked configurations: {The} role of the molecular charge distribution", journal = j-IJQC, volume = "20", number = "2", pages = "299--338", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chojnacki:1981:PEC, author = "Henryk Chojnacki and J{\'o}zef Lipi{\'n}ski and W. Andrzej Sokalski", title = "Potential energy curves in complementary base pairs and in model hydrogen bonded systems", journal = j-IJQC, volume = "20", number = "2", pages = "339--346", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balaji:1981:ECH, author = "V. N. Balaji", title = "Energy calculations on helical polypeptides: {Structure} of polyglycine {II}", journal = j-IJQC, volume = "20", number = "2", pages = "347--356", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saran:1981:MOS, author = "Anil Saran and Lalit N. Patnaik", title = "Molecular orbital studies on nucleoside antibiotics. {IV}. conformation of 3'-deoxyadenosine (cordycepin) and 3'-amino-3'-deoxyadenosine", journal = j-IJQC, volume = "20", number = "2", pages = "357--367", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pedersen:1981:SST, author = "C. Th. Pedersen and J. Oddershede and J. R. Sabin", title = "Semiempirical studies on 1,2- and 1,3-tetrathiofulvalenes", journal = j-IJQC, volume = "20", number = "2", pages = "369--371", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gupta:1981:SMP, author = "V. P. Gupta and V. D. Gupta and C. Mehrotra", title = "Study of molecular polarizabilities of some amino and polyamino acids", journal = j-IJQC, volume = "20", number = "2", pages = "373--376", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mishra:1981:VWF, author = "R. K. Mishra and K. Bhaumik and A. Srivastava and S. S. Chaudhary", title = "{Van der Waals} force between two localized clusters of bosons", journal = j-IJQC, volume = "20", number = "2", pages = "377--383", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Soni:1981:STP, author = "M. L. Soni and R. C. Kapoor", title = "Some thermodynamic parameters for hydroxy amino acids: {Bicine} and tricine", journal = j-IJQC, volume = "20", number = "2", pages = "385--391", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yamaguchi:1981:TSP, author = "Kizashi Yamaguchi", title = "Theoretical studies of photo-oxidative cleavage reactions of nitrogen-activated {C\doublebond{}C} double bonds of enamines, indoles, and tryptamines", journal = j-IJQC, volume = "20", number = "2", pages = "393--406", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bansal:1981:SFC, author = "Manju Bansal and Goutam Gupta", title = "Structure factor calculations of various {DNA} duplexes", journal = j-IJQC, volume = "20", number = "2", pages = "407--417", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jain:1981:BLD, author = "D. V. S. Jain and Vijay Gombar", title = "Binding of leucomycin and its derivatives to {{\em E. coli}} ribosomes", journal = j-IJQC, volume = "20", number = "2", pages = "419--427", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lukovits:1981:CSD, author = "I. Lukovits", title = "Comparative studies on drug-receptor binding of phenylethylamine derivatives using calculated group contribution constants", journal = j-IJQC, volume = "20", number = "2", pages = "429--438", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saran:1981:CNA, author = "Anil Saran", title = "Conformation of nucleoside antibiotics", journal = j-IJQC, volume = "20", number = "2", pages = "439--447", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chidambaram:1981:NES, author = "R. Chidambaram", title = "Neutron elastic scattering studies of biological molecules and complexes", journal = j-IJQC, volume = "20", number = "2", pages = "449--459", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ovchinnikov:1981:IC, author = "Yu. A. Ovchinnikov", title = "Ionophores and channels", journal = j-IJQC, volume = "20", number = "2", pages = "461--478", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Varma:1981:SLE, author = "Shambhu D. Varma", title = "Superoxide and lens of the eye: a new theory of cataractogenesis", journal = j-IJQC, volume = "20", number = "2", pages = "479--484", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200219", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Khetrapal:1981:ANO, author = "C. L. Khetrapal", title = "Application of {NMR} of oriented systems in biochemistry and biophysics", journal = j-IJQC, volume = "20", number = "2", pages = "485--494", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200220", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Das:1981:ECW, author = "Sudipto Das and Gaurishanker Singhal", title = "Effect of change of water structure on the phase transition of liposomes of dipalmitoyl phosphatidylcholine", journal = j-IJQC, volume = "20", number = "2", pages = "495--504", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200221", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seydel:1981:ALM, author = "U. Seydel and B. Lindner", title = "Application of the laser microprobe mass analyzer ({LAMMA}) to qualitative and quantitative single cell analysis", journal = j-IJQC, volume = "20", number = "2", pages = "505--512", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200222", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Myer:1981:CCA, author = "Yash P. Myer and A. Pande and J. Pande and K. K. Thallam and A. F. Saturno and Balbir C. Verma", title = "Cytochrome c: {Ascorbate} reduction site and possible electron-transfer path", journal = j-IJQC, volume = "20", number = "2", pages = "513--521", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200223", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gurnani:1981:ITL, author = "S. Gurnani and G. Datta and N. B. Mulchandani and G. Sen and S. K. Mehta and S. Sengupta", title = "Interaction of tylophorinidine with lysozyme", journal = j-IJQC, volume = "20", number = "2", pages = "523--531", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200224", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tatake:1981:SET, author = "V. G. Tatake", title = "Significance of the electron trap parameters of glow curves of photosynthetic membranes", journal = j-IJQC, volume = "20", number = "2", pages = "533--541", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200225", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Psoda:1981:IMB, author = "Anna Psoda and B. Kierdaszuk and A. Pohorille and M. Geller and J. T. Kusmierek and D. Shugar", title = "Interaction of the mutagenic base analogs {O$^6$}-methylguanine and {N$^4$}-hydroxycytosine with potentially complementary bases", journal = j-IJQC, volume = "20", number = "2", pages = "543--554", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200226", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Talekar:1981:MCB, author = "Manjubala S. Talekar and Subhash V. Talekar", title = "Mechanism of chromosome banding: a phenomenological approach", journal = j-IJQC, volume = "20", number = "2", pages = "555--566", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200227", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panda:1981:ATL, author = "B. C. Panda", title = "Active transport in the light of thermodynamics of open systems", journal = j-IJQC, volume = "20", number = "2", pages = "567--571", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200228", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shugar:1981:TPP, author = "David Shugar and Krystyna Szcz{\k{e}}{\'s}niak", title = "Tautomerism of pyrimidines and purines in the gas phase and in low-temperature matrices, and some biological implications", journal = j-IJQC, volume = "20", number = "2", pages = "573--585", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200229", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Aa, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "20", number = "2", pages = "589--590", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200230", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "2", pages = "fmi--fmii", month = aug, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:37 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Modrak:1981:CDS, author = "P. Modrak", title = "Calculation of the density of states of tight-binding $d$ band for simple cubic lattice", journal = j-IJQC, volume = "20", number = "3", pages = "591--600", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Radzio-Andzelm:1981:III, author = "El{\.z}bieta Radzio-Andzelm", title = "Investigation of intermolecular interactions based on the atomic statistical model", journal = j-IJQC, volume = "20", number = "3", pages = "601--612", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Prasad:1981:ILP, author = "C. V. Prasad and K. Sundaram", title = "Impact of lone pairs on the conformation and configuration statistics of poly(lactic acid) chains", journal = j-IJQC, volume = "20", number = "3", pages = "613--621", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1981:HAEc, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Hypervirial analysis of enclosed quantum mechanical systems. {III}. {Unsymmetrical} boundary conditions", journal = j-IJQC, volume = "20", number = "3", pages = "623--632", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kobeissi:1981:EEF, author = "Hafez Kobeissi and Mounzer Dagher and Mohamad Adel Alameddine", title = "Explicit expression of the {Franck--Condon} factors in terms of the potentials of the two states", journal = j-IJQC, volume = "20", number = "3", pages = "633--644", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hariharan:1981:MCN, author = "P. C. Hariharan and Herbert E. Popkie and Joyce J. Kaufman", title = "Molecular calculations with the nonempirical ab initio {MODPOT}, {VRDDO}, and {MODPOT\slash VRDDO} procedures. {XII}. {Carcinogenic} 3-methylcholanthrene and its metabolites using a {MERGE} technique", journal = j-IJQC, volume = "20", number = "3", pages = "645--653", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Almlof:1981:TES, author = "J. Alml{\"o}f and A. V. Nemukhin and A. Heiberg", title = "Treatment of excited states in the {CASSCF} method: {Application} to {BO}", journal = j-IJQC, volume = "20", number = "3", pages = "655--667", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kluge:1981:CES, author = "G. Kluge and M. Scholz", title = "Chemistry of excited states. {XI}. {Interpretation} of photoelectron spectra by final state single {CI} method within semiempirical formalisms", journal = j-IJQC, volume = "20", number = "3", pages = "669--682", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beleznay:1981:IBP, author = "F. Beleznay and S. Suhai and J. Ladik", title = "Interaction between polymers: {Dispersion} energy of two infinite linear chains", journal = j-IJQC, volume = "20", number = "3", pages = "683--692", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Marini:1981:RTB, author = "U. Marini and Bettolo Marconi and N. H. March", title = "Relativistic theory of binding energies of heavy positive ions", journal = j-IJQC, volume = "20", number = "3", pages = "693--704", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tantardini:1981:IVB, author = "Gian Franco Tantardini and Massimo Simonetta", title = "Ab initio valence bond calculations. {XI}. {Pyridine}: {Ground} and ionized states", journal = j-IJQC, volume = "20", number = "3", pages = "705--715", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tatum:1981:CCK, author = "J. Patrick Tatum", title = "Calculations concerning {Kato}'s equations", journal = j-IJQC, volume = "20", number = "3", pages = "717--745", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sudhindra:1981:IIP, author = "B. S. Sudhindra and J.-H. Fuhrhop", title = "Intermolecular interactions in porphin dimers: a quantum mechanical study", journal = j-IJQC, volume = "20", number = "3", pages = "747--753", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1981:ISS, author = "Anne Marie Sapse and Grace Snyder and Angelo V. Santoro", title = "Ab initio {SCF} study of guanidine and substituted guanidines", journal = j-IJQC, volume = "20", number = "3", pages = "755--762", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maric:1981:GRM, author = "Z. Mari{\'c} and M. Popovi{\'c}-Bo{\v{z}}i{\'c} and Z. Nikolovski", title = "Generalized {Racah} method for the evaluation of {CFP} for mixed electronic configurations", journal = j-IJQC, volume = "20", number = "3", pages = "763--774", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1981:AQT, author = "Per-Olov L{\"o}wdin", title = "Addendum to {``Quantum} theory as a trace algebra''", journal = j-IJQC, volume = "20", number = "3", pages = "775--776", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wormer:1981:NMP, author = "P. E. S. Wormer", title = "Note on the {Matsen} and {Pauncz} proof of the {S$_n$-U(n)} duality", journal = j-IJQC, volume = "20", number = "3", pages = "777--778", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Simons:1981:SMR, author = "Jack Simons", title = "The {Siegert} methods in resonance scattering: {Relation} to {L$^2$} methods", journal = j-IJQC, volume = "20", number = "3", pages = "779--780", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "3", pages = "fmi--fmii", month = sep, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thuraisingham:1981:ECC, author = "R. A. Thuraisingham and G. Bandarage", title = "Explicitly correlated configuration interaction wave functions for the {He} atom using correlated {Gaussians}", journal = j-IJQC, volume = "20", number = "4", pages = "781--783", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hofmann:1981:CHS, author = "Hans-J{\"o}rg Hofmann and Gustav Peinel and Christine Krebs and Cornelius Weiss", title = "Construction of hydration shells for the tautomeric forms of heterocycles based on electrostatic potentials", journal = j-IJQC, volume = "20", number = "4", pages = "785--792", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ang:1981:RCE, author = "M. H. Ang and K. Yates and I. G. Csizmadia and R. Daudel", title = "Relationship of correlation energy and size", journal = j-IJQC, volume = "20", number = "4", pages = "793--806", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Raina:1981:EDE, author = "V. Raina and K. V. Sane and R. P. Saxena and P. K. Srivastava", title = "Estimation of dissociation energy of alkali diatomics using an extended {Linderberg} relation", journal = j-IJQC, volume = "20", number = "4", pages = "807--816", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roeggen:1981:ECD, author = "I. R{\o}eggen", title = "Electron correlation described by an extended geminal model", journal = j-IJQC, volume = "20", number = "4", pages = "817--833", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moiseyev:1981:SPR, author = "Nimrod Moiseyev", title = "Study of predissociation resonances by the complex coordinate method", journal = j-IJQC, volume = "20", number = "4", pages = "835--842", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kashiwagi:1981:IMO, author = "Hiroshi Kashiwagi and Shigeru Obara", title = "Ab initio molecular orbital calculation of {Fe}-porphine with a double zeta basis set", journal = j-IJQC, volume = "20", number = "4", pages = "843--859", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matsen:1981:SFQ, author = "F. A. Matsen and C. J. Nelin", title = "Spin-Free quantum chemistry. {XXII}. {Multiconfiguration} self-consistent field theory", journal = j-IJQC, volume = "20", number = "4", pages = "861--878", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scheire:1981:MSX, author = "L. Scheire and R. Rotthier and P. Phariseau", title = "{MSW--SCF--X$\alpha$} studies of some silicon compounds. {I}. {Iminosilicon (HNSi)}", journal = j-IJQC, volume = "20", number = "4", pages = "879--885", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharyya:1981:LBR, author = "Kamal Bhattacharyya and Sankar Prasad Bhattacharyya", title = "Limiting behavior of the ratio of $$ and $$ in the helium sequence", journal = j-IJQC, volume = "20", number = "4", pages = "887--889", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1981:PBS, author = "Joseph Oladipo Oriade", title = "Positron band structures for beryllium", journal = j-IJQC, volume = "20", number = "4", pages = "891--896", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matsuoka:1981:MCM, author = "Osamu Matsuoka", title = "Methods of composite molecular wave functions. {I}. {Variational} principle and multiconfiguration {SCF} theory", journal = j-IJQC, volume = "20", number = "4", pages = "897--908", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Facelli:1981:IHO, author = "J. C. Facelli and R. H. Contreras", title = "Inclusion of hydrogen $p$ orbitals in the semiempirical calculation of {NMR} parameters. {III}: {INDO CHF} calculations of orbital and dipolar contributions to spin--spin coupling constants involving protons", journal = j-IJQC, volume = "20", number = "4", pages = "909--919", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Romano:1981:MCS, author = "Silvano Romano", title = "{Monte-Carlo} simulation of water solvent with biomolecules: {Serines} with reaction-field correction", journal = j-IJQC, volume = "20", number = "4", pages = "921--926", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wilson:1981:SLP, author = "R. G. Wilson and C. S. Sharma", title = "Studies in {L{\"o}wdin}'s partitioning technique in quantum theory. {I}. {Invertibility} of the operator {K}", journal = j-IJQC, volume = "20", number = "4", pages = "927--932", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DaCunhaLima:1981:SCAb, author = "I. C. {Da Cunha Lima} and A. Ferreira {Da Silva} and N. J. Parada", title = "Self-Consistent {APW}--$k \cdot p$ method. {II}. {Application} to {NaCl}", journal = j-IJQC, volume = "20", number = "4", pages = "933--949", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Michels:1981:EAI, author = "M. A. J. Michels", title = "Evaluation of angular integrals in rotational invariants", journal = j-IJQC, volume = "20", number = "4", pages = "951--952", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mukerjee:1981:SEM, author = "Nirad Gopal Mukerjee and Pratip Ray", title = "Simplification of an earlier {MCSCF} procedure for {CI} expansions involving orbital excitations", journal = j-IJQC, volume = "20", number = "4", pages = "953--953", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200419", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "4", pages = "fmi--fmii", month = oct, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fukutome:1981:UHF, author = "Hideo Fukutome", title = "Unrestricted {Hartree--Fock} theory and its applications to molecules and chemical reactions", journal = j-IJQC, volume = "20", number = "5", pages = "955--1065", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Raghavachari:1981:COE, author = "Krishnan Raghavachari and John A. Pople", title = "Calculation of one-electron properties using limited configuration interaction techniques", journal = j-IJQC, volume = "20", number = "5", pages = "1067--1071", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ganas:1981:EIE, author = "P. S. Ganas", title = "Electron impact excitation cross sections for {O II}", journal = j-IJQC, volume = "20", number = "5", pages = "1073--1076", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ho:1981:IHC, author = "Y. K. Ho", title = "Improved {Hylleraas} calculations for ground state energies of lithium {ISO--electronic} sequence", journal = j-IJQC, volume = "20", number = "5", pages = "1077--1082", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hariharan:1981:EMP, author = "P. C. Hariharan and Joyce J. Kaufman and Carlo Petrongolo", title = "Electrostatic molecular potential contour maps generated from ab initio {MODPOT\slash VRDDO\slash MERGE} wave functions of carcinogenic 3-methylcholanthrene and its metabolites", journal = j-IJQC, volume = "20", number = "5", pages = "1083--1095", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lochmann:1981:MEP, author = "R. Lochmann and G. Peinel and T. Weller", title = "Molecular electrostatic potentials from {PCILO} wave functions", journal = j-IJQC, volume = "20", number = "5", pages = "1097--1105", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moskowitz:1981:NLC, author = "Jules W. Moskowitz and M. H. Kalos", title = "A new look at correlations in atomic and molecular systems. {I}. {Application} of fermion {Monte Carlo} variational method", journal = j-IJQC, volume = "20", number = "5", pages = "1107--1119", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DalCappello:1981:CPE, author = "C. {Dal Cappello} and C. Tavard", title = "{Compton} profiles for ejected electrons: {Determination} of momentum densities", journal = j-IJQC, volume = "20", number = "5", pages = "1121--1125", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oliveira:1981:MXM, author = "P. Murilo Oliveira and B. Maffeo", title = "{MS X$_\alpha$} method and transition-state procedure", journal = j-IJQC, volume = "20", number = "5", pages = "1127--1139", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "5", pages = "fmi--fmii", month = nov, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bozovic:1981:PSA, author = "I. B. Bo{\v{z}}ovi{\'c} and J. Delhalle and M. Damnjanovi{\'c}", title = "A posteriori symmetry analysis of polymer electronic band structures", journal = j-IJQC, volume = "20", number = "6", pages = "1143--1163", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{PrasadBhattacharyya:1981:HTO, author = "Sankar PrasadBhattacharyya and Debashis Mukherjee", title = "A hybrid technique of orthonormality constrained orbital optimization in {SCF} calculations", journal = j-IJQC, volume = "20", number = "6", pages = "1165--1177", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Luzanov:1981:SSP, author = "A. V. Luzanov and G. E. Whyman", title = "Structure and spin-purity conditions for reduced density matrices of arbitrary order", journal = j-IJQC, volume = "20", number = "6", pages = "1179--1199", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1981:SDC, author = "Per--olov L{\"o}wdin and Jean--Louis Calais and Jacques M. Calazans", title = "Simple derivation of conditions for instability in the {Hartree--Fock} and projected {Hartree--Fock} schemes", journal = j-IJQC, volume = "20", number = "6", pages = "1201--1215", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1981:CGFa, author = "Herbert W. Jones", title = "Computer-generated formulas for two-center {Coulomb} integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "20", number = "6", pages = "1217--1224", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Solmajer:1981:CIA, author = "T. {\v{S}}olmajer and D. Kocjan and D. Had{\v{z}}i", title = "Catecholamine interaction with anionic {sites---A} model study", journal = j-IJQC, volume = "20", number = "6", pages = "1225--1231", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Witschel:1981:OPE, author = "W. Witschel", title = "Ordered products of exponential operators by similarity transformations", journal = j-IJQC, volume = "20", number = "6", pages = "1233--1241", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Westhaus:1981:CBP, author = "Paul Westhaus", title = "Connections between perturbation theory and the unitary transformation methods of deriving effective {Hamiltonians}", journal = j-IJQC, volume = "20", number = "6", pages = "1243--1253", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balasubramanian:1981:SSS, author = "K. Balasubramanian", title = "Symmetry simplifications of space types in configuration interaction induced by orbital degeneracy", journal = j-IJQC, volume = "20", number = "6", pages = "1255--1271", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharyya:1981:VRS, author = "Kamal Bhattacharyya", title = "Variants of {Rayleigh--Schr{\"o}dinger} perturbation theory---a new look", journal = j-IJQC, volume = "20", number = "6", pages = "1273--1284", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brucenta:1981:ETM, author = "A. Bruce{\~n}ta and P. Vermeulin and P. Archirel and G. Berthier", title = "Exponential transformation of molecular orbitals. {II}. {General} formulation for {UHF} calculations and application to diatomics and molecular fragments", journal = j-IJQC, volume = "20", number = "6", pages = "1285--1300", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nakatsuji:1981:CEW, author = "Hiroshi Nakatsuji and Kimihiko Hirao", title = "Cluster expansion of the wave function. {Electron} correlations in singlet and triplet excited states, ionized states, and electron attached states by {SAC} and {SAC--CI} theories", journal = j-IJQC, volume = "20", number = "6", pages = "1301--1313", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bamzai:1981:ISC, author = "Anjuli S. Bamzai and B. M. Deb", title = "Internal stresses and chemical binding in the {H} molecule", journal = j-IJQC, volume = "20", number = "6", pages = "1315--1329", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larsson:1981:BRB, author = "Seven Larsson and Olle M{\aa}rtensson", title = "Book Review: {{\booktitle{Catalysis in chemistry and biochemistry. Theory and experiment. Jerusalem symposia on quantum chemistry and biochemistry}}. Vol. 12. Edited by B. Pullman. Reidel, Dordrecht, 1979. Price (cloth): \$85.00. ISBN 90-277-1039-2}", journal = j-IJQC, volume = "20", number = "6", pages = "1331--1331", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Pullman:1979:CCB}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1981:BRBa, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Chimie quantique structural et {\'e}l{\'e}ments de spectroscopie th{\'e}orique}}. By A. Julg. Office des publications universitaires, Alger, 1978}", journal = j-IJQC, volume = "20", number = "6", pages = "1331--1332", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1981:BRBb, author = "Jeans-Louis Calais", title = "Book Review: {{\booktitle{Quantum Theory of Polymers}}. Edited by J.-M. Andr{\'e}, J. Delhalle, and J. Ladik. NATO advanced study Institutes series C, Volume 39. Reidle, Dordrecht and Boston, 1978}", journal = j-IJQC, volume = "20", number = "6", pages = "1332--1332", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Andre:1978:QTP}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1981:BRBc, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Electrons and Phonons in Layered Crystal Structures}}. Edited by T. J. Wietling and M. Schluter. Physics and Chemistry of Materials with Layered Structures, Volume 3 D. Reidel, Dordrecht and Boston, 1979}", journal = j-IJQC, volume = "20", number = "6", pages = "1332--1333", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Wieting:1979:EPL}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Siegbahn:1981:BRB, author = "Hans Siegbahn", title = "Book Review: {{\booktitle{Reactive Intermediates in the Gas Phase, Generation and Monitoring}}. Edited by D. W. Setser. Academic, New York, 1979}", journal = j-IJQC, volume = "20", number = "6", pages = "1333--1334", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200619; https://doi.org/10.1002/qua.560200620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Setser:1979:RIG}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", xxpages = "1333--1333", } @Article{Martensson:1981:BRB, author = "Olle Martensson", title = "Book Review: {{\booktitle{Carcinogenesis: Fundamental Mechanisms and Environmental Effects}}. Edited by B. Pullman, P. O. P. Ts'o, and H. Gelboin. The Jerusalem Symposia on Quantum Chemistry and Biochemistry. Vol. 13. Reidel, Dordrecht, 1980. ISBN 90-277-1171-2}", journal = j-IJQC, volume = "20", number = "6", pages = "1334--1334", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200621", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Pullman:1980:CFM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Froelich:1981:BRB, author = "Piotr Froelich", title = "Book Review: {{\booktitle{Ab Initio Calculations --- Methods and Applications in Chemistry}}. By Petr {\v{C}}{\'a}rsky and Miroslav Urban. Lecture Notes in Chemistry No. 16. Springer-Verlag, Berlin, 1980. ISBN 3-540-10005-9}", journal = j-IJQC, volume = "20", number = "6", pages = "1334--1335", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200622", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Carsky:1980:ICM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Ab, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "20", number = "6", pages = "1337--1337", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200623", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1981:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "6", pages = "fmi--fmii", month = dec, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oie:1981:DFI, author = "Tetsuro Oie and Gerald M. Maggiora and Ralph E. Christoffersen and David J. Duchamp", title = "Development of a flexible intra- and intermolecular empirical potential function for large molecular systems", journal = j-IJQC, volume = "20", number = "S8", pages = "1--47", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Graf:1981:ESG, author = "P. Graf and E. L. Mehler", title = "Evaluation of small {Gaussian} basis sets for ab-initio calculations on biologically active molecules", journal = j-IJQC, volume = "20", number = "S8", pages = "49--61", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Graf:1981:DDI, author = "P. Graf and E. L. Mehler", title = "Direct determination of improved contraction coefficients by a least-squares approach", journal = j-IJQC, volume = "20", number = "S8", pages = "63--71", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sapse:1981:SCF, author = "A. M. Sapse and C. S. Russell and G. Snyder", title = "Self-consistent field calculations on 2-aminomethyl-3-carboxymethyl pyrrole, a substrate analog of {PBG} deaminase evidence of intramolecular hydrogen bonding", journal = j-IJQC, volume = "20", number = "S8", pages = "73--80", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Laurence:1981:ICC, author = "Patricia R. Laurence and Colin Thomson", title = "Ab-initio calculations of charge transfer interactions involving ascorbic acid and its metabolites", journal = j-IJQC, volume = "20", number = "S8", pages = "81--93", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Loew:1981:QCS, author = "Gilda H. Loew and Michael T. Poulsen", title = "Quantum chemical studies of aflatoxins: {Metabolism} and carcinogenic activity", journal = j-IJQC, volume = "20", number = "S8", pages = "95--107", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Gresh:1981:TSS, author = "N. Gresh and C. Etchebest and O. {de la Luz Rojas} and A. Pullman", title = "A theoretical study of the selective alkali and alkaline-earth cation binding properties of valinomycin", journal = j-IJQC, volume = "20", number = "S8", pages = "109--116", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ramani:1981:IMO, author = "R. Ramani and Russell J. Boyd", title = "Ab-initio molecular orbital study of the {\em cis\slash trans\/} conformations of the peptide bond", journal = j-IJQC, volume = "20", number = "S8", pages = "117--127", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Chatterjee:1981:MOS, author = "C. L. Chatterjee and Anil Saran", title = "Molecular orbital studies on nucleoside antibiotics {V}. {Conformation} of pyrazofurins", journal = j-IJQC, volume = "20", number = "S8", pages = "129--138", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Broch:1981:IAC, author = "H. Broch and D. Cabrol and D. Vasilescu", title = "Implications of aminoacyladenylate conformations in the prebiotic polypeptide synthesis", journal = j-IJQC, volume = "20", number = "S8", pages = "139--148", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Lowrey:1981:MCN, author = "A. H. Lowrey and P. C. Hariharan and Joyce J. Kaufman", title = "Molecular calculations with the nonempirical ab-initio {MODPOT \slash VRDDO \slash MERGE} procedures. {XIV}. 2,6-dimethyl-{N}-nitroso morpholine and its {$\alpha$-OH} isomers: {Conformations} and electrostatic molecular potential contour maps", journal = j-IJQC, volume = "20", number = "S8", pages = "149--160", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Zakrzewska:1981:EPM, author = "Krystyna Zakrzewska and Richard Lavery and Bernard Pullman", title = "The electrostatic potential of a model phospholipid monolayer", journal = j-IJQC, volume = "20", number = "S8", pages = "161--170", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Lavery:1981:EMP, author = "Richard Lavery and Sylvie Corbin and Alberte Pullman", title = "The electrostatic molecular potential of {tRNA$^{Phe}$}. {V}. {The} influence of counterion binding on the potential and the steric accessibility", journal = j-IJQC, volume = "20", number = "S8", pages = "171--183", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mezey:1981:MTM, author = "Paul G. Mezey", title = "Manifold theory of multidimensional potential surfaces", journal = j-IJQC, volume = "20", number = "S8", pages = "185--196", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Xiao-Yuan:1981:CEP, author = "Fu Xiao-Yuan and Su Shu-Jun", title = "Calculation of energies of protonation and tautomerization of methyl histamines and their relationship with {pK$_a$} values and biological activities", journal = j-IJQC, volume = "20", number = "S8", pages = "197--200", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Cheney:1981:EPE, author = "B. Vernon Cheney and Dominic A. Zichi", title = "Effects of {N}-protonation on the electronic structure of morphine and naloxone", journal = j-IJQC, volume = "20", number = "S8", pages = "201--219", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Scheiner:1981:PTH, author = "Steve Scheiner", title = "Proton transfers in hydrogen-bonded systems {V}. {Analysis} of electronic redistributions in {(N$_2$H$_7$)}$^+$", journal = j-IJQC, volume = "20", number = "S8", pages = "221--229", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Jeffrey:1981:HBG, author = "G. A. Jeffrey and H. Maluszynska", title = "Hydrogen-bonding geometry and patterns in carbohydrates and amino acids", journal = j-IJQC, volume = "20", number = "S8", pages = "231--239", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Meshitsuka:1981:PNS, author = "Shunsuke Meshitsuka and Gary M. Smith and Albert S. Mildvan", title = "Proton {NMR} studies of the histidine residues and of bound {ATP} on rabbit muscle pyruvate kinase", journal = j-IJQC, volume = "20", number = "S8", pages = "241--245", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Gupta:1981:NPS, author = "Raj K. Gupta and Jeffrey L. Benovic", title = "{NMR} probes of the spatial arrangement of substrates at the active site of creatine kinase", journal = j-IJQC, volume = "20", number = "S8", pages = "247--256", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sheridan:1981:NRS, author = "Robert P. Sheridan and Raj K. Gupta", title = "{$^1$H} nuclear relaxation study of the aniline-binding site in human hemoglobin", journal = j-IJQC, volume = "20", number = "S8", pages = "257--264", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Gascoyne:1981:ESR, author = "Peter R. C. Gascoyne", title = "An electron spin resonance investigation of amine models for the protein--methylglyoxal interaction", journal = j-IJQC, volume = "20", number = "S8", pages = "265--270", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{vanZandt:1981:DDV, author = "L. L. van Zandt", title = "Damping of {DNA} vibration modes by viscous solvents", journal = j-IJQC, volume = "20", number = "S8", pages = "271--276", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Wagner:1981:SDO, author = "Belinda J. Wagner and Chanchal K. Mitra and Ramaswamy H. Sarma", title = "Structure of {DNA} oligonucleotides", journal = j-IJQC, volume = "20", number = "S8", pages = "277--285", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sundaralingam:1981:SMN, author = "M. Sundaralingam and E. Westhof", title = "Structural motifs of the nucleotidyl unit and the handedness of polynucleotide helices", journal = j-IJQC, volume = "20", number = "S8", pages = "287--306", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Bone:1981:EPP, author = "Stephen Bone and Joyce Eden and Ronald Pethig", title = "Electrical properties of proteins as a function of hydration and {NaCl} content", journal = j-IJQC, volume = "20", number = "S8", pages = "307--316", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Bennett:1981:MCE, author = "H. Stanley Bennett", title = "Muscle contraction and enzymatic action: {Challenges} to quantum chemistry", journal = j-IJQC, volume = "20", number = "S8", pages = "317--329", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sheridan:1981:SSN, author = "Robert P. Sheridan and Raj K. Gupta", title = "Spectroscopic studies of neocarzinostatin and its chromophore: {UV} inactivation and mercaptan activation", journal = j-IJQC, volume = "20", number = "S8", pages = "331--346", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Biczo:1981:HSE, author = "G. Bicz{\'o} and I. Lukovits", title = "Hunting of strange electronic states and structures in solids and biopolymers", journal = j-IJQC, volume = "20", number = "S8", pages = "347--357", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Danilov:1981:EWT, author = "Victor I. Danilov and J{\'o}zef S. Kwiatkowski and Bogdan Lesyng and Valery I. Poltev", title = "Effect of water on the tautomeric equilibrium of 2-oxopyridine. {A Monte Carlo} simulation study", journal = j-IJQC, volume = "20", number = "S8", pages = "359--364", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Moore:1981:ITS, author = "Richard D. Moore", title = "The insulin transduction system: {A} biophysical model for mitogenesis", journal = j-IJQC, volume = "20", number = "S8", pages = "365--371", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Reggio:1981:MDB, author = "Patricia H. Reggio and Harel Weinstein and Roman Osman and Sid Topiol", title = "Molecular determinants for binding of methylenedioxytryptamines at {5-HT\slash LSD} receptors", journal = j-IJQC, volume = "20", number = "S8", pages = "373--384", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Urry:1981:CPG, author = "D. W. Urry and C. M. Venkatachalam and K. U. Prasad and R. J. Bradley and G. Parenti-Castelli and G. Lenaz", title = "Conduction processes of the gramicidin channel", journal = j-IJQC, volume = "20", number = "S8", pages = "385--399", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Seybold:1981:RBC, author = "Paul G. Seybold and Richard Vestewig and John D. Scribner", title = "Relationships between carcinogenicity, mutagenicity, and theoretical reactivity indices for polycyclic aromatic hydrocarbons", journal = j-IJQC, volume = "20", number = "S8", pages = "401--408", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Shibata:1981:CAS, author = "Masayuki Shibata and Thomas Kieber-Emmons and Shibani Dutta and Robert Rein", title = "A comparative analysis of the stability of the chymotrypsin charge triad", journal = j-IJQC, volume = "20", number = "S8", pages = "409--417", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Kaufman:1981:SCG, author = "Joyce J. Kaufman", title = "Strategy for computer-generated theoretical and quantum chemical prediction of toxicity and toxicology (and pharmacology in general)", journal = j-IJQC, volume = "20", number = "S8", pages = "419--439", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Fox:1981:OPS, author = "Sidney W. Fox", title = "Origins of the protein synthesis cycle", journal = j-IJQC, volume = "20", number = "S8", pages = "441--454", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Findley:1981:GE, author = "G. L. Findley and S. P. McGlynn", title = "Geometry and evolution", journal = j-IJQC, volume = "20", number = "S8", pages = "455--461", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Randic:1981:GTC, author = "M. Randic", title = "Graph theoretical characterization of the dendritic fields", journal = j-IJQC, volume = "20", number = "S8", pages = "463--479", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1981:Ac, author = "Anonymous", title = "Abstracts", journal = j-IJQC, volume = "20", number = "S8", pages = "481--482", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200742", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1981:I, author = "Anonymous", title = "Introduction", journal = j-IJQC, volume = "20", number = "S8", pages = "vii--vii", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1981:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "S8", pages = "fmi--fmi", day = "5--7", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:06 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Wilson:1981:JHV, author = "E. Bright Wilson", title = "{John Hasbrouck Van Vleck} (1899--1980)", journal = j-IJQC, volume = "20", number = "S15", pages = "1--3", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1981:BM, author = "Anonymous", title = "{Bernd T. Matthias}", journal = j-IJQC, volume = "20", number = "S15", pages = "5--19", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sheppard:1981:TOQ, author = "Maurice G. Sheppard and Karl F. Freed", title = "Third-order quasidegenerate many-body perturbation theory calculations for valence state correlation energies of the nitrogen and oxygen atoms and their ions", journal = j-IJQC, volume = "20", number = "S15", pages = "21--31", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fukutome:1981:CTB, author = "Hideo Fukutome and Katsufumi Hashimoto", title = "Characterization of the two-body correlation structures in a molecular many-electron wave function", journal = j-IJQC, volume = "20", number = "S15", pages = "33--59", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cizek:1981:UCQ, author = "J. {\v{C}}{\^\i}{\v{z}}ek and R. Pauncz and E. R. Vrscay", title = "The use of the concept of quasispin for the study of physical and chemical properties of alternant conjugated hydrocarbons", journal = j-IJQC, volume = "20", number = "S15", pages = "61--62", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Born:1981:UGF, author = "Gregory Born and Isaiah Shavitt", title = "A unitary group formulation of open-shell electron propagator theory", journal = j-IJQC, volume = "20", number = "S15", pages = "63--63", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Davidson:1981:QSE, author = "Ernest R. Davidson", title = "Qualitatively significant effects of electron correlation", journal = j-IJQC, volume = "20", number = "S15", pages = "65--68", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hinze:1981:DCE, author = "Juergen Hinze and Fak. F. Chemie", title = "Developments in the calculation of electronic wavefunctions for molecules: {MCSCF}, {CI}, and numerical {SCF} for molecules", journal = j-IJQC, volume = "20", number = "S15", pages = "69--90", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lischka:1981:NIG, author = "Hans Lischka and Ron Shepard and Franklin B. Brown and Isaiah Shavitt", title = "New implementation of the graphical unitary group approach for multireference direct configuration interaction calculations", journal = j-IJQC, volume = "20", number = "S15", pages = "91--100", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pauncz:1981:SCI, author = "Ruben Pauncz", title = "Studies in the configuration interaction method. {I}. {Combinatorial} aspects of the downward-{Robb} algorithm", journal = j-IJQC, volume = "20", number = "S15", pages = "101--111", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ortiz:1981:AWR, author = "J. V. Ortiz and Brian Weiner and Yngve {\"O}hrn", title = "The {AGP} wavefunction and its relation to other descriptions of electronic structure", journal = j-IJQC, volume = "20", number = "S15", pages = "113--128", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lozes:1981:ITA, author = "Richard L. Lozes and Brian Weiner and Yngve {\"O}hrn", title = "Invariance transformations and {AGP} optimization", journal = j-IJQC, volume = "20", number = "S15", pages = "129--131", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sangfelt:1981:AAP, author = "Erland Sangfelt and Osvaldo Goscinski and Nils Elander and Henry Kurtz", title = "An analysis of the {AGP} and projected {AGP} wavefunctions", journal = j-IJQC, volume = "20", number = "S15", pages = "133--141", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kurtz:1981:EOA, author = "Henry A. Kurtz and Nils Elander and Osvaldo Goscinski and Erland Sangfelt", title = "On the energy optimization of the {AGP} wavefunction. {The} ground state of the {Be} atom", journal = j-IJQC, volume = "20", number = "S15", pages = "143--149", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yeager:1981:EMM, author = "Danny L. Yeager and Jeppe Olsen and Poul J{\o}rgensen", title = "The evaluation of {MCRPA (MCTDHF)} electronic excitation energies, oscillator strengths, and polarizabilities: {Application} to {O$_2$}", journal = j-IJQC, volume = "20", number = "S15", pages = "151--162", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Matsen:1981:PHG, author = "F. A. Matsen", title = "Particle-hole {Gel'fand} states and quasidegenerate perturbation theory", journal = j-IJQC, volume = "20", number = "S15", pages = "163--175", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mcdowell:1981:AQW, author = "Keith Mcdowell", title = "Assessing the quality of a wavefunction using quantum {Monte Carlo}", journal = j-IJQC, volume = "20", number = "S15", pages = "177--181", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mckeen:1981:SDR, author = "Leighton E. Mckeen and Everett G. Larson", title = "Symmetry-decomposed reduced transition operators for degenerate atomic states --- Their generation and their utility", journal = j-IJQC, volume = "20", number = "S15", pages = "183--188", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Curtiss:1981:IMO, author = "L. A. Curtiss and D. J. Frurip", title = "Ab initio molecular orbital calculations on hydrogen bonding in binary water-alcohol mixtures: {(CH$_3$OH)$_2$(H$_2$O)}, {(CH$_3$OH) (H$_2$O)$_2$}, and {(CF$_3$CH$_2$OH)(H$_2$O)}", journal = j-IJQC, volume = "20", number = "S15", pages = "189--197", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kaufman:1981:ANC, author = "Joyce J. Kaufman and P. C. Hariharan and Herbert E. Popkie", title = "Additional new computational strategies for ab initio calculations on large molecules", journal = j-IJQC, volume = "20", number = "S15", pages = "199--201", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tobin:1981:IMV, author = "Frank L. Tobin and P. C. Hariharan and Joyce J. Kaufman and Richard S. Miller", title = "Ab initio {MODPOT\slash VRDDO\slash MERGE} calculations on energetic compounds. {I}. {Mechanism} of initiation of cationic polymerization from electrostatic molecular potential contour maps", journal = j-IJQC, volume = "20", number = "S15", pages = "203--216", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Delhalle:1981:PUU, author = "J. Delhalle and J. M. Andre and L. Piela and L. Z. Stolarczyk", title = "Potential use of the unit cell arbitrary concept to evaluate long-range interactions in quantum mechanical studies of model polymers", journal = j-IJQC, volume = "20", number = "S15", pages = "217--217", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Vercauteren:1981:SDO, author = "D. P. Vercauteren and J. G. Fripiat and J. M. Andr{\'e}", title = "Symmetry dilemmas in oxocarbons", journal = j-IJQC, volume = "20", number = "S15", pages = "219--224", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Simonetta:1981:NPI, author = "Massimo Simonetta and Mario Raimondi and Gian Franco Tantardini", title = "New problems for ab-initio valence bond theory", journal = j-IJQC, volume = "20", number = "S15", pages = "225--229", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bredas:1981:NSE, author = "J. L. Br{\'e}das and R. R. Chance and R. H. Baughman and R. Silbey", title = "Nonempirical studies of the electronic properties of highly conducting polymers", journal = j-IJQC, volume = "20", number = "S15", pages = "231--241", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Heeger:1981:SMP, author = "A. J. Heeger and A. G. Macdiarmid", title = "Semiconducting and metallic polymers: {From} quantum chemistry to new technology", journal = j-IJQC, volume = "20", number = "S15", pages = "243--249", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cederbaum:1981:MVC, author = "L. S. Cederbaum and H. K{\"o}ppel and W. Domcke", title = "Multimode vibronic coupling effects in molecules", journal = j-IJQC, volume = "20", number = "S15", pages = "251--267", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pople:1981:MOS, author = "J. A. Pople and H. B. Schlegel and R. Krishnan and D. J. Defrees and J. S. Binkley and M. J. Frisch and R. A. Whiteside and R. F. Hout and W. J. Hehre", title = "Molecular orbital studies of vibrational frequencies", journal = j-IJQC, volume = "20", number = "S15", pages = "269--278", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mezey:1981:IIE, author = "Paul G. Mezey", title = "The isoelectronic and isoprotonic energy hypersurface and the topology of the nuclear charge space", journal = j-IJQC, volume = "20", number = "S15", pages = "279--285", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jones:1981:CGFb, author = "Herbert W. Jones", title = "Computer-generated formulas for hybrid integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "20", number = "S15", pages = "287--291", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kiang:1981:PTM, author = "Yuan-Sun Kiang", title = "Partition technique and molecular graph theory", journal = j-IJQC, volume = "20", number = "S15", pages = "293--304", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sun:1981:LAM, author = "Chia-Chung Sun and Bei-Foo Li and Au-Chin Tang", title = "{Lie} algebra and molecular shell model. {II}", journal = j-IJQC, volume = "20", number = "S15", pages = "305--320", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kim:1981:GTM, author = "Shoon K. Kim", title = "A general theory of matrix transformation and its application to quantum mechanical problems", journal = j-IJQC, volume = "20", number = "S15", pages = "321--329", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jordan:1981:RDE, author = "Kenneth D. Jordan", title = "Recent developments in electron-molecule scattering", journal = j-IJQC, volume = "20", number = "S15", pages = "331--340", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Valone:1981:DEA, author = "Steven M. Valone and Devarajan Thirumalai and Donald G. Truhlar", title = "Dispersion-equation approach to obtaining complex optical potentials for electron scattering", journal = j-IJQC, volume = "20", number = "S15", pages = "341--353", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nicolaides:1981:TCR, author = "C. A. Nicolaides and Y. Komninos and Th. Mercouris", title = "Theory and calculation of resonances using complex coordinates", journal = j-IJQC, volume = "20", number = "S15", pages = "355--367", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Folland:1981:DDM, author = "N. O. Folland", title = "Dynamical derivation of microscopic stress tensors", journal = j-IJQC, volume = "20", number = "S15", pages = "369--379", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Buchler:1981:PCP, author = "J. Robert Buchler and Manuel Barranco", title = "Phase-coexistence in partially degenerate nuclear matter", journal = j-IJQC, volume = "20", number = "S15", pages = "381--384", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tai:1981:EOE, author = "Chin Chui Tai and Geoffrey Hunter", title = "An exact one-electron model of atomic structure: {The} helium atom ground state", journal = j-IJQC, volume = "20", number = "S15", pages = "385--385", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Csavinszky:1981:ISS, author = "P. Csavinszky", title = "Introduction of the shell structure with gradient expansion corrections into the {Thomas--Fermi--Dirac} energy density functional for neutral atoms", journal = j-IJQC, volume = "20", number = "S15", pages = "387--391", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Thakkar:1981:EED, author = "Ajit J. Thakkar and Nancy J. Moore", title = "Electronic extracule densities", journal = j-IJQC, volume = "20", number = "S15", pages = "393--400", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Leite:1981:VCM, author = "Jos{\'e} R. Leite and Adalberto Fazzio and Marco A. P. Lima and A. M. Dias and Abel Rosato and E. Segre", title = "The variational cellular method for quantum mechanical applications: {Calculations} of the ground and excited states of {F$_2$} and {Ne$_2$} molecules", journal = j-IJQC, volume = "20", number = "S15", pages = "401--408", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Donnelly:1981:ADM, author = "Robert A. Donnelly", title = "An approximate density matrix energy functional", journal = j-IJQC, volume = "20", number = "S15", pages = "409--417", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{El-Issa:1981:GFM, author = "B. D. El-Issa", title = "{Green}'s functions in multiple scattering theory", journal = j-IJQC, volume = "20", number = "S15", pages = "419--428", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Castro:1981:BMT, author = "Miguel Castro and Jaime Keller and Pilar Mareca", title = "Bonding in the {MO$_2$} transition-metal diatomic molecule", journal = j-IJQC, volume = "20", number = "S15", pages = "429--435", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Schulman:1981:TKA, author = "Joel N. Schulman and John D. Dow", title = "On the theory of the {KVV} {Auger} spectrum of {Li}", journal = j-IJQC, volume = "20", number = "S15", pages = "437--443", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tsukada:1981:ESV, author = "Masaru Tsukada and Toshiharu Hoshino", title = "Electronic structure of vacancy and chemisorptive bond on {Si(111)} surface by the {DV--X$\alpha$} cluster calculation", journal = j-IJQC, volume = "20", number = "S15", pages = "445--455", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brescansin:1981:MXT, author = "Luiz M. Brescansin and A. Fazzio", title = "{MS--X$\alpha$}: {Treatment} for native defects in {GaSb}", journal = j-IJQC, volume = "20", number = "S15", pages = "457--457", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brener:1981:MEA, author = "N. E. Brener and J. L. Fry and R. A. Johnson", title = "Matrix elements in the analytic tetrahedron method", journal = j-IJQC, volume = "20", number = "S15", pages = "459--468", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sankey:1981:EEF, author = "Otto F. Sankey and Roland E. Allen and John D. Dow", title = "Effects of the environment on {Frenkel} core-exciton energies", journal = j-IJQC, volume = "20", number = "S15", pages = "469--476", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Avery:1981:TID, author = "John Avery and Per-Johan {\O}rmen and Donald Mullen", title = "Transferable integrals in a deformation density approach to crystal orbital calculations. {VII}. {Crystal} field theory using measured densities and potentials", journal = j-IJQC, volume = "20", number = "S15", pages = "477--486", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kunz:1981:PNB, author = "A. Barry Kunz", title = "Properties of narrow band insulators", journal = j-IJQC, volume = "20", number = "S15", pages = "487--498", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pattnaik:1981:UAE, author = "P. C. Pattnaik and J. L. Fry and N. E. Brener and G. Fletcher", title = "Use of {ATM} in evaluating spin-density", journal = j-IJQC, volume = "20", number = "S15", pages = "499--505", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kuivalainen:1981:MPM, author = "P. Kuivalainen and J. Sinkkonen and T. Stubb", title = "Magnetic polarons in magnetic semiconductors", journal = j-IJQC, volume = "20", number = "S15", pages = "507--519", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Beck:1981:ILC, author = "Donald R. Beck", title = "On the incorporation of local correlation effects into ionic solids", journal = j-IJQC, volume = "20", number = "S15", pages = "521--538", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fletcher:1981:HTS, author = "G. Fletcher", title = "High-temperature superconductivity in {CdS}: {A} theoretical investigation", journal = j-IJQC, volume = "20", number = "S15", pages = "539--544", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Little:1981:CDE, author = "W. A. Little", title = "Criteria for the design of an excitonic superconductor", journal = j-IJQC, volume = "20", number = "S15", pages = "545--554", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Rives:1981:NHO, author = "A. B. Rives and F. Weinhold", title = "Natural hybrid orbitals: ab initio {SCF} and {CI} results for {CO} and {NiCO}", journal = j-IJQC, volume = "20", number = "S15", pages = "555--555", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1981:SSM, author = "Anonymous", title = "Subsymposium on scattering by many-body systems and related computational methods", journal = j-IJQC, volume = "20", number = "S15", pages = "557--557", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Linderberg:1981:MSM, author = "Jan Linderberg", title = "Multiple surface molecular motion: {A} $t$-matrix approach", journal = j-IJQC, volume = "20", number = "S15", pages = "559--581", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Wardlaw:1981:SDT, author = "David Wardlaw and Paul Brumer", title = "State densities and time delay in molecular collisions", journal = j-IJQC, volume = "20", number = "S15", pages = "583--594", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nalewajski:1981:NKF, author = "Roman F. Nalewajski and Roman Pastewski", title = "Normalized kinetic field potentials for the atom-diatom reactions. {Testing} the collinear surfaces", journal = j-IJQC, volume = "20", number = "S15", pages = "595--610", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Elgersma:1981:QTS, author = "H. Elgersma and G. C. Schatz", title = "A quasiclassical trajectory study of mode specific reaction rate enhancements in {H $+$ H$_2$O (v$_1$ v$_2$ v$_3$) $\rightarrow$ OH $+$ H$_2$}", journal = j-IJQC, volume = "20", number = "S15", pages = "611--619", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fukui:1981:TC, author = "Kenichi Fukui and Akitomo Tachibana and Koichi Yamashita", title = "Toward chemodynamics", journal = j-IJQC, volume = "20", number = "S15", pages = "621--632", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fukui:1981:VPC, author = "Kenichi Fukui", title = "Variational principles in a chemical reaction", journal = j-IJQC, volume = "20", number = "S15", pages = "633--642", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Micha:1981:CET, author = "David A. Micha", title = "Cumulant expansion of time-correlation functions for collisional energy transfer", journal = j-IJQC, volume = "20", number = "S15", pages = "643--652", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Vilallonga:1981:TCF, author = "Eduardo Vilallonga and David A. Micha", title = "Time-correlation function approach to molecular anharmonicity in hyperthermal atom-molecule collisions", journal = j-IJQC, volume = "20", number = "S15", pages = "653--661", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Casaubon:1981:MTA, author = "J. I. Casaubon and R. D. Piacentini and A. Salin", title = "Molecular treatment of atomic collisions in the {keV\slash amu} energy range: {Application} to the {Li$^{3+}$\bond{}H} system", journal = j-IJQC, volume = "20", number = "S15", pages = "663--670", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bottcher:1981:NST, author = "C. Bottcher", title = "Numerical solution of the time-dependent {Schr{\"o}dinger} equation with {Coulomb} interactions", journal = j-IJQC, volume = "20", number = "S15", pages = "671--682", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kreuzer:1981:KEP, author = "H. J. Kreuzer", title = "Kinetic equations for physisorption", journal = j-IJQC, volume = "20", number = "S15", pages = "683--694", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200871", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Obcemea:1981:GVR, author = "Ch. Obcemea and P. Froelich and E. J. Br{\"a}ndas", title = "Generalized virial relations and the theory of subdynamics", journal = j-IJQC, volume = "20", number = "S15", pages = "695--702", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200872", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kresin:1981:NAA, author = "Vladimir Z. Kresin and William A. {Lester, Jr.}", title = "A new adiabatic approach to the photodissociation of polyatomic molecules", journal = j-IJQC, volume = "20", number = "S15", pages = "703--714", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200873", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Flannery:1981:IIR, author = "M. R. Flannery", title = "Ion-ion recombination in dilute and dense plasmas", journal = j-IJQC, volume = "20", number = "S15", pages = "715--727", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200874", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1981:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "20", number = "S15", pages = "fmi--fmi", day = "8--14", month = mar, year = "1981", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560200801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:34:09 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1982:I, author = "Per-Olov L{\"o}wdin and Yngve {\"O}hrn", title = "Introduction", journal = j-IJQC, volume = "21", number = "1", pages = "1--2", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Simon:1982:LOS, author = "Barry Simon", title = "Large orders and summability of eigenvalue perturbation theory: a mathematical overview", journal = j-IJQC, volume = "21", number = "1", pages = "3--25", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cizek:1982:LOP, author = "Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Edward R. Vrscay", title = "Large order perturbation theory in the context of atomic and molecular physics---interdisciplinary aspects", journal = j-IJQC, volume = "21", number = "1", pages = "27--68", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1982:PTP, author = "Per-Olov L{\"o}wdin", title = "Partitioning technique, perturbation theory, and rational approximations", journal = j-IJQC, volume = "21", number = "1", pages = "69--92", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bender:1982:PTL, author = "Carl M. Bender", title = "Perturbation theory in large order for some elementary systems", journal = j-IJQC, volume = "21", number = "1", pages = "93--104", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wu:1982:LOP, author = "Tai Tsun Wu", title = "Large-Order perturbation theory", journal = j-IJQC, volume = "21", number = "1", pages = "105--118", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avron:1982:BWF, author = "J. E. Avron", title = "{Bender--Wu} formulas and classical trajectories: {Higher} dimensions and degeneracies", journal = j-IJQC, volume = "21", number = "1", pages = "119--124", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Silverstone:1982:UDP, author = "Harris J. Silverstone", title = "Unified derivation of the perturbation series for the real and imaginary parts of the energy of hydrogen in the {Stark} effect and of the negatively anharmonic oscillator", journal = j-IJQC, volume = "21", number = "1", pages = "125--131", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Reinhardt:1982:PSR, author = "William P. Reinhardt", title = "{Pad{\'e}} summations for the real and imaginary parts of atomic {Stark} eigenvalues", journal = j-IJQC, volume = "21", number = "1", pages = "133--146", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pellegatti:1982:NEC, author = "Alain Pellegatti and Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Josef Paldus", title = "Numerical estimates of the convergence of the {Rayleigh--Schr{\"o}dinger} perturbation expansions for the energy levels of various models of the benzene molecule", journal = j-IJQC, volume = "21", number = "1", pages = "147--151", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adams:1982:RTP, author = "B. G. Adams and J. {\v{C}}{\'\i}{\v{z}}ek and J. Paldus", title = "Representation theory of so (4,2) for the perturbation treatment of hydrogenic-type {Hamiltonian}s by algebraic methods", journal = j-IJQC, volume = "21", number = "1", pages = "153--171", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Khuri:1982:FSA, author = "N. N. Khuri", title = "Failure of strong asymptotic conditions in four-dimensional field theories", journal = j-IJQC, volume = "21", number = "1", pages = "173--177", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Au:1982:PTR, author = "C. K. Au", title = "Perturbation theory via the {Ricatti} equation", journal = j-IJQC, volume = "21", number = "1", pages = "179--190", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Damburg:1982:DW, author = "R. Damburg and R. Propin", title = "Double wells", journal = j-IJQC, volume = "21", number = "1", pages = "191--193", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Graffi:1982:MPT, author = "S. Graffi", title = "Meaning of the perturbation theory for a class of multiple-well anharmonic oscillators", journal = j-IJQC, volume = "21", number = "1", pages = "195--197", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harrell:1982:ETP, author = "Evans M. {Harrell II}", title = "Estimating tunneling phenomena", journal = j-IJQC, volume = "21", number = "1", pages = "199--207", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:WPT, author = "Anonymous", title = "Workshop on perturbation theory at large order: {List} of participants", journal = j-IJQC, volume = "21", number = "1", pages = "209--211", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1982:P, author = "Per-Olov L{\"o}wdin and Jean-Louis Calais and Osvaldo Goscinski", title = "Preface", journal = j-IJQC, volume = "21", number = "1", pages = "215--215", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hayns:1982:RTQ, author = "M. R. Hayns", title = "Relevance of the techniques of quantum chemistry in materials science and related areas", journal = j-IJQC, volume = "21", number = "1", pages = "217--229", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1982:QCC, author = "Jean-Louis Calais", title = "Is quantum chemistry concerned with materials science?", journal = j-IJQC, volume = "21", number = "1", pages = "231--237", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210121", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dunne:1982:TMT, author = "Lawrence J. Dunne and Leon Combs", title = "Towards a molecular theory of phase transitions in fatty acid monolayers", journal = j-IJQC, volume = "21", number = "1", pages = "239--250", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210122", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{CorreaDeMello:1982:CSC, author = "P. {Corr{\^e}a De Mello} and M. Hehenberger and M. C. Zernert", title = "Converging {SCF} calculations on excited states", journal = j-IJQC, volume = "21", number = "1", pages = "251--258", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210123", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brandas:1982:SCC, author = "Erkki J. Br{\"a}ndas and Leon L. Combs and Nestor S. Correia", title = "Size consistency corrections for configurational interaction calculations", journal = j-IJQC, volume = "21", number = "1", pages = "259--267", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210124", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goscinski:1982:SPR, author = "Osvaldo Goscinski", title = "Some properties of reduced density matrices, correlated and uncorrelated, for pure and mixed states", journal = j-IJQC, volume = "21", number = "1", pages = "269--273", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210125", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1982:AQT, author = "Per-Olov L{\"o}wdin", title = "On the axioms of quantum theory formulated as a trace algebra", journal = j-IJQC, volume = "21", number = "1", pages = "275--353", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210126", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "21", number = "1", pages = "fmi--fmii", month = jan, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1982:DFT, author = "Per-Olov L{\"o}wdin and Jean-Louis Calais and Osvaldo Goscinski", title = "Density functional theory", journal = j-IJQC, volume = "21", number = "2", pages = "357--357", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1982:ESB, author = "Joseph Oriade", title = "Electronic structure of beryllium", journal = j-IJQC, volume = "21", number = "2", pages = "359--367", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weiner:1982:SAP, author = "Brian Weiner and Osvaldo Goscinski", title = "Superoperator approach to propagator approximations", journal = j-IJQC, volume = "21", number = "2", pages = "369--398", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Malykhanov:1982:VPT, author = "Yu. B. Malykhanov", title = "Variational-Perturbation theory in the {LCAO-MO} method for closed-shell molecules", journal = j-IJQC, volume = "21", number = "2", pages = "399--410", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balasubramanian:1982:SGC, author = "K. Balasubramanian", title = "Symmetry groups of chemical graphs", journal = j-IJQC, volume = "21", number = "2", pages = "411--418", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Simas:1982:MSP, author = "Alfredo M. Simas and Art J. Thakkar and Vedene H. {Smith, Jr.}", title = "Momentum space properties of various orbital basis sets used in quantum chemical calculations", journal = j-IJQC, volume = "21", number = "2", pages = "419--429", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Skancke:1982:ICE, author = "Anne Skancke and Colin Thomson", title = "Ab initio calculations of the electronic structures of {Dimethylnitrosamine (DMN)} and its {Metabolite Hydroxydimethylnitrosamine (HDMN)}: a possible intermediate in carcinogenesis by {DMN}", journal = j-IJQC, volume = "21", number = "2", pages = "431--443", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cheney:1982:SFA, author = "B. Vernon Cheney", title = "Structural factors affecting aryl hydrocarbon hydroxylase induction by dibenzo-p-dioxins and dibenzofurans", journal = j-IJQC, volume = "21", number = "2", pages = "445--463", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Muller:1982:CIC, author = "Jiri M{\"u}ller", title = "Configuration interaction calculations of the valence and the inner valence levels of the {CS} molecule", journal = j-IJQC, volume = "21", number = "2", pages = "465--473", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sasaki:1982:SAE, author = "Yorihiko Sasaki and Shigehiro Konaka and Takao Iijima and Masao Kimura", title = "Small-angle electron scattering and electron density in carbon dioxide", journal = j-IJQC, volume = "21", number = "2", pages = "475--485", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wesenberg:1982:CIR, author = "G. Wesenberg and F. Weinhold", title = "Coupling of internal rotations in propanelike molecules", journal = j-IJQC, volume = "21", number = "2", pages = "487--509", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Levy:1982:DHK, author = "M. Levy and J. P. Perdew", title = "In defense of the {Hohenberg--Kohn} theorem and density functional theory", journal = j-IJQC, volume = "21", number = "2", pages = "511--513", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "21", number = "2", pages = "fmi--fmii", month = feb, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1982:TID, author = "John Avery and Per-Johan {\O}rmen and Ibha Chatterjee", title = "Transferable integrals in a deformation density approach to crystal calculations. {I}. {Crystal} harmonics and their properties", journal = j-IJQC, volume = "21", number = "3", pages = "515--542", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Terasaka:1982:NCH, author = "Toshitaka Terasaka and Kazuyoshi Sakamoto", title = "Note on calculations by hypervirial relations and sufficient conditions for these relations: {Box} potential and harmonic oscillator models", journal = j-IJQC, volume = "21", number = "3", pages = "543--556", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Trsic:1982:IHF, author = "M. Trsic and W. G. Laidlaw", title = "Ab initio {Hartree--Fock--Slater} calculation of {Tetrathiafulvalene (TTF)} and the {TTF$^{1+}$} and {TTF$^{2+}$} ions", journal = j-IJQC, volume = "21", number = "3", pages = "557--563", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Snyder:1982:SBD, author = "Lawrence C. Snyder and Zelda R. Wasserman and Jules W. Moskowitz", title = "Stability and bonding of disilyne and its isomers: a generalized valence bond-effective potential study", journal = j-IJQC, volume = "21", number = "3", pages = "565--579", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balasubramanian:1982:SCT, author = "K. Balasubramanian", title = "Spectra of chemical trees", journal = j-IJQC, volume = "21", number = "3", pages = "581--590", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weiner:1982:GLG, author = "B. Weiner", title = "General linear group approach to bivariational problems", journal = j-IJQC, volume = "21", number = "3", pages = "591--610", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hamano:1982:VSF, author = "Hidekazu Hamano", title = "Variational solutions of a first-order perturbation equation", journal = j-IJQC, volume = "21", number = "3", pages = "611--616", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Westhaus:1982:CBP, author = "Paul Westhaus", title = "Connections between perturbation theory and the {Van Vleck} transformation: {Illustrative} calculations on the perturbed harmonic oscillator", journal = j-IJQC, volume = "21", number = "3", pages = "617--632", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Biskupic:1982:CEH, author = "Stanislav Biskupi{\v{c}} and Vladim{\'\i}r Kvasni{\v{c}}ka", title = "Construction of an effective {Hamiltonian} for open-shell molecular systems", journal = j-IJQC, volume = "21", number = "3", pages = "633--645", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1982:SPC, author = "Milan Randi{\'c} and Vladimir Katovi{\'c}", title = "Symmetry properties of chemical graphs. {IV}. {Rearrangement} of tetragonal-pyramidal complexes", journal = j-IJQC, volume = "21", number = "3", pages = "647--663", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{De:1982:CIS, author = "B. R. De and S. Bhattacharjee and A. B. Sannigrahi", title = "{CNDO/2} and {INDO} studies of structure and relative stability of a series of {H\,AB--H\,BA} systems of mixed first- and second-row composition", journal = j-IJQC, volume = "21", number = "3", pages = "665--669", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1982:TDH, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Trivial off-diagonal {Hellmann--Feynman} formulas", journal = j-IJQC, volume = "21", number = "3", pages = "671--672", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "21", number = "3", pages = "fmi--fmii", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernndez:1982:HEE, author = "Francisco M. Fer{\'n}ndez and Eduardo A. Castro", title = "Hyperviral extension for energies of parameter-dependent systems", journal = j-IJQC, volume = "21", number = "4", pages = "673--676", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1982:CTI, author = "P. G. Mezey and G. {Del Re} and P. Otto and S. Suhai and J. Ladik", title = "Charge transfer and induced polarization in model peptide--ion complexes", journal = j-IJQC, volume = "21", number = "4", pages = "677--697", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Daudel:1982:UQG, author = "Raymond Daudel and Raymond A. Poirier and Imre G. Csizmadia", title = "Uniform quality {Gaussian} basis sets for molecular calculations. {V}. {Property} optimization: a study on {H$_2$O}", journal = j-IJQC, volume = "21", number = "4", pages = "699--710", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lochmann:1982:CPM, author = "R. Lochmann and Th. Weller", title = "Calculation of periodic molecular systems with perturbed periodicity within the {PCILO} framework. {I}. {Method}", journal = j-IJQC, volume = "21", number = "4", pages = "711--716", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Essen:1982:PTE, author = "Hanno Ess{\'e}n", title = "Periodic table of the elements and the {Thomas--Fermi} atom", journal = j-IJQC, volume = "21", number = "4", pages = "717--726", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bacic:1982:CCR, author = "Zlatko Ba{\v{c}}i{\'c} and Jack Simons", title = "Complex coordinate rotation calculation of branching ratios", journal = j-IJQC, volume = "21", number = "4", pages = "727--739", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1982:VTB, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Virial theorem and boundary conditions for approximate wave functions", journal = j-IJQC, volume = "21", number = "4", pages = "741--751", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Malinowski:1982:CSI, author = "P. Malinowski and A. C. Tanner and K. F. Lee and B. Linder", title = "Calculation in {$K$} space of integrals arising in the theory of {van der Waals} forces", journal = j-IJQC, volume = "21", number = "4", pages = "753--765", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "21", number = "4", pages = "767--768", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "21", number = "4", pages = "fmi--fmii", month = apr, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Basil:1982:NGTa, author = "Sherif El-Basil", title = "Novel graph-theoretical approach to estimating the relative importance of individual {Kekul{\'e}} valence structures. {I}. {Simple} catacondensed systems", journal = j-IJQC, volume = "21", number = "5", pages = "771--778", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Basil:1982:NGTb, author = "Sherif El-Basil", title = "Novel graph-theoretical approach to estimating the relative importance of individual {Kekul{\'e}} valence structures. {II}. {Benzenoid} systems having four to seven fused benzene rings: {``Pseudodegenerate''} states", journal = j-IJQC, volume = "21", number = "5", pages = "779--792", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Basil:1982:NGTc, author = "Sherif El-Basil", title = "Novel graph-theoretical approach to estimating the relative importance of individual {Kekul{\'e}} valence structures. {III}. {Nonalternate} and nonbenzenoid hydrocarbons", journal = j-IJQC, volume = "21", number = "5", pages = "793--797", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poirier:1982:ICS, author = "R. A. Poirier and R. Daudel and P. G. Mezey and I. G. Csizmadia", title = "Ab initio calculations on sulfur-containing compounds. {I}. {Uniform} quality basis sets for sulfur: {Total} energies and geometries of {H$_2$S}", journal = j-IJQC, volume = "21", number = "5", pages = "799--811", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laszlo:1982:CCR, author = "I. L{\'a}szl{\'o}", title = "{CNDO/2} calculations of relaxation and reconstruction of diamond and silicon [111] surfaces", journal = j-IJQC, volume = "21", number = "5", pages = "813--822", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Black:1982:DAG, author = "R. J. Black and G. E. Stedman", title = "Diagram approach to group algebraic methods", journal = j-IJQC, volume = "21", number = "5", pages = "823--831", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Birner:1982:CEA, author = "P. Birner and H.-J. Hofmann", title = "Critical examination of approximate {LCAO MO} methods. {I}. {Reasons} for the failure of the {CNDO} and {INDO} methods in theoretical conformational analysis of conjugated compounds", journal = j-IJQC, volume = "21", number = "5", pages = "833--843", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Das:1982:CRO, author = "M. P. Das", title = "Calculation of relaxed orbital binding energies in atoms: {Zinc} and cadmium", journal = j-IJQC, volume = "21", number = "5", pages = "845--849", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharyya:1982:SMO, author = "Sankar Prasad Bhattacharyya", title = "Semiempirical molecular orbital calculations on octahedral aquo complexes of transition metal ions: $\sigma$-donor ability of water", journal = j-IJQC, volume = "21", number = "5", pages = "851--855", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharyya:1982:FSH, author = "Kamal Bhattacharyya", title = "{Feenberg} scaling and higher-order invariants in {Rayleigh--Schr{\"o}dinger} perturbation theory", journal = j-IJQC, volume = "21", number = "5", pages = "857--860", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hashimoto:1982:CSC, author = "Katsufumi Hashimoto", title = "Charge and spin correlation structures of conjugated $\pi$ systems: {Analysis} of full {CI} wave functions of the {PPP} {Hamiltonian}", journal = j-IJQC, volume = "21", number = "5", pages = "861--874", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernndez:1982:HAE, author = "Francisco M. Fer{\'n}ndez and Eduardo A. Castro", title = "Hypervirial analysis of enclosed quantum mechanical systems. {IV}. {Further} comments", journal = j-IJQC, volume = "21", number = "5", pages = "875--884", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grelland:1982:RLE, author = "Hans H. Grelland and Jan Alml{\"o}f", title = "Reduced local energy as a criterion for the accuracy of approximate {Hartree--Fock} wave functions. {Application} to {H$_2$O} and {CH$_4$}", journal = j-IJQC, volume = "21", number = "5", pages = "885--897", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1982:TED, author = "P. Csavinszky", title = "Theory of the electron distribution in compressed atoms at high temperatures", journal = j-IJQC, volume = "21", number = "5", pages = "899--903", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Banerjee:1982:SOE, author = "Manas Banerjee and Sankar Prasad Bhattacharyya", title = "Scaled one-electron {Hamiltonian} model for open-shell {LCAO--MO--SCF} calculations: {Comparison} with the restricted open-shell method of {Roothaan}", journal = j-IJQC, volume = "21", number = "5", pages = "905--915", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Day:1982:CCC, author = "R. S. Day and J. Ladik", title = "Cluster {CPA} calculations for infinite and half--infinite chains and applications to coupled polymer chains", journal = j-IJQC, volume = "21", number = "5", pages = "917--926", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ludena:1982:VFH, author = "Eduardo V. Lude{\~n}a and Vladimiro Mujica", title = "Virial fragments and the {Hohenberg--Kohn} functional", journal = j-IJQC, volume = "21", number = "5", pages = "927--935", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Swenson:1982:CHR, author = "Robert J. Swenson", title = "Comment on hypervirial relations for bounded systems", journal = j-IJQC, volume = "21", number = "5", pages = "937--938", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210519", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Helgaker:1982:SDP, author = "Trygve Ulf Helgaker", title = "Simple derivation of the potential energy gradient for an arbitrary electronic wave function", journal = j-IJQC, volume = "21", number = "5", pages = "939--940", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210520", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lunell:1982:BRB, author = "Sten Lunell", title = "Book Review: {{\booktitle{Understanding physical chemistry}}. By Arthur W. Adamson, Benjamin\slash Cummings, 1980. Price: \$9.95}", journal = j-IJQC, volume = "21", number = "5", pages = "941--941", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210521", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Adamson:1964:UPC,Adamson:1969:UPC,Adamson:1980:UPC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Ab, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "21", number = "5", pages = "943--943", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210522", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "21", number = "5", pages = "fmi--fmii", month = may, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abdul-Ahad:1982:IAA, author = "P. G. Abdul-Ahad and G. A. Webb", title = "Interpretation of the antitumour activity of some diacridines", journal = j-IJQC, volume = "21", number = "6", pages = "945--965", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stolarczyk:1982:MTBa, author = "Leszek Z. Stolarczyk", title = "Molecular tight-binding method. {I}. {Many}-electron method for hole bands of molecular crystals", journal = j-IJQC, volume = "21", number = "6", pages = "967--991", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stolarczyk:1982:MTBb, author = "Leszek Z. Stolarczyk", title = "Molecular tight-binding method. {II}. {One}- and many-electron method for excess electron bands of molecular crystals", journal = j-IJQC, volume = "21", number = "6", pages = "993--1001", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kvasnicka:1982:PGC, author = "V. Kvasni{\v{c}}ka", title = "Permutation-Group classification and description of the {Feynman--Goldstone} diagrams", journal = j-IJQC, volume = "21", number = "6", pages = "1003--1017", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fedyanin:1982:PEP, author = "V. K. Fedyanin and L. V. Yakushevich", title = "Particlelike excitations in the polypeptide chain model", journal = j-IJQC, volume = "21", number = "6", pages = "1019--1028", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krechl:1982:MOS, author = "Ji{\v{r}}{\'\i} Krechl and Josef Kuthan", title = "Molecular orbital study on the active center of lactate dehydrogenase", journal = j-IJQC, volume = "21", number = "6", pages = "1029--1040", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hunter:1982:VMA, author = "Geoffrey Hunter and Chin Chiu Tai", title = "Variational marginal amplitudes", journal = j-IJQC, volume = "21", number = "6", pages = "1041--1050", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jolly:1982:SRU, author = "P. Jolly and K. V. Sane and R. P. Saxena and P. K. Srivastava", title = "Some remarks on the use of rational functions as variational functions", journal = j-IJQC, volume = "21", number = "6", pages = "1051--1055", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gallup:1982:TSP, author = "G. A. Gallup", title = "Transformation of spin projected {Slater} determinants under orbital permutation", journal = j-IJQC, volume = "21", number = "6", pages = "1057--1060", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smet:1982:EMH, author = "F. Smet and A. {Van Groenendael}", title = "{\'E}quation matricielle de {Hartree--Fock} permettant de d{\'e}terminer la $n^{\mbox{\small i{\`e}me}}$ harmonique. ({French}) [{Hartree--Fock} matrix equation allowing determination of the $n$-th harmonic]", journal = j-IJQC, volume = "21", number = "6", pages = "1061--1078", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Jones:1982:ETC, author = "Herbert W. Jones", title = "Evaluation of two-center overlap and {Coulomb} integrals derived from {Slater}-type orbitals", journal = j-IJQC, volume = "21", number = "6", pages = "1079--1089", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gustav:1982:PAU, author = "Klaus Gustav and Roland Colditz", title = "Potential adaption: {Use} of polynomials as anharmonic oscillator potentials", journal = j-IJQC, volume = "21", number = "6", pages = "1091--1095", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1982:SCA, author = "Francisco M. Fernandez and Eduardo A. Castro", title = "Some comments about tensor virial theorem and linear transformations", journal = j-IJQC, volume = "21", number = "6", pages = "1097--1103", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abdul-Ahad:1982:QSA, author = "P. G. Abdul-Ahad and G. A. Webb", title = "Quantitative structure activity relationships for some antitumor {platinum(II)} complexes", journal = j-IJQC, volume = "21", number = "6", pages = "1105--1115", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Easa:1982:LRI, author = "S. I. Easa and F. N. Yousif", title = "Long-Range interaction coefficients between {H}, {He$^+$}, {He}, and {Li$^+$}", journal = j-IJQC, volume = "21", number = "6", pages = "1117--1121", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1982:MAR, author = "Eugene S. Kryachko", title = "Matrix analysis of {$N$}-representability necessary conditions", journal = j-IJQC, volume = "21", number = "6", pages = "1123--1125", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "21", number = "6", pages = "fmi--fmii", month = jun, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560210601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karunakaran:1982:ECCa, author = "K. M. Karunakaran and Ralph E. Christoffersen", title = "Explicitly correlated configuration interaction studies using spherical {Gaussians}. {I}. {Theoretical} considerations", journal = j-IJQC, volume = "22", number = "1", pages = "1--9", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karunakaran:1982:ECCb, author = "K. M. Karunakaran and Ralph E. Christoffersen", title = "Explicitly correlated configuration interaction studies using spherical {Gaussians}. {II}. {Exploratory} studies on {LiH}", journal = j-IJQC, volume = "22", number = "1", pages = "11--21", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kobeissi:1982:AER, author = "Hafez Kobeissi and Mahmoud Korek", title = "Analytic expression of the rotation harmonics in the vibration--rotation wave function of a diatomic molecule", journal = j-IJQC, volume = "22", number = "1", pages = "23--29", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gustav:1982:VCE, author = "Klaus Gustav and Roland Colditz", title = "Vibronic coupling of electronic states. {II}. Mathematical description of the model", journal = j-IJQC, volume = "22", number = "1", pages = "31--36", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gresh:1982:CNT, author = "Nohad Gresh", title = "Carcinogenicity of naphthylamines: a theoretical study of the stacking interaction of 1- and 2-naphthylnitrenium ions with guanine, adenine, and the dinucleoside monophosphate cytidyl-(3$^\prime$-5$^\prime$)-guanosine", journal = j-IJQC, volume = "22", number = "1", pages = "37--48", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1982:EPA, author = "J. O. Oriade", title = "Evaluation of positron annihilation in {Beryllium}", journal = j-IJQC, volume = "22", number = "1", pages = "49--67", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maranon:1982:CTC, author = "Julio Mara{\~n}{\'o}n and Horacio Grinberg and Norma Sbarbati Nudelman", title = "Charge-transfer character of the intermolecular hydrogen bond in singlet and triplet excited electronic states of the adenine--thymine base pair", journal = j-IJQC, volume = "22", number = "1", pages = "69--72", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chakraborty:1982:MME, author = "B. P. Chakraborty", title = "{Morse} matrix elements: {An} asymptotic expansion treatment", journal = j-IJQC, volume = "22", number = "1", pages = "73--88", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mondragon:1982:PTH, author = "A. Mondrag{\'o}n and I. Ortega Blake", title = "Proton transference in hydrogen bonded systems. {I}. {Uracil} tautomerism", journal = j-IJQC, volume = "22", number = "1", pages = "89--100", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1982:LST, author = "Paul G. Mezey", title = "Level set topology of the nuclear charge space and the electronic energy functional", journal = j-IJQC, volume = "22", number = "1", pages = "101--114", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Labbe:1982:ATS, author = "A. Toro Labbe and J. Maruani", title = "Application of the theory of symmetry of nonrigid molecules to the calculation of the conformational dependences of the torsional potential and dipole moment of acetone-related molecules", journal = j-IJQC, volume = "22", number = "1", pages = "115--125", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rettrup:1982:MPG, author = "S. Rettrup and C. R. Sarma and J. P. Dahl", title = "Molecular point group adaptation of spin--free configurations", journal = j-IJQC, volume = "22", number = "1", pages = "127--148", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roeggen:1982:ECD, author = "I. R{\o}eggen", title = "Electron correlation described by extended geminal models: {The EXGEM} 2 and {EXGEM} 3 models", journal = j-IJQC, volume = "22", number = "1", pages = "149--168", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Otto:1982:III, author = "P. Otto and J. Ladik", title = "Intermolecular and intramolecular interactions calculated with ab initio perturbative configuration interaction method using strongly localized orbitals", journal = j-IJQC, volume = "22", number = "1", pages = "169--182", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wilson:1982:SLP, author = "R. G. Wilson and C. S. Sharma", title = "Studies in {L{\"o}wdin}'s partitioning technique in quantum theory. {II}. {Operators} {$T$} and {$\Omega$}", journal = j-IJQC, volume = "22", number = "1", pages = "183--190", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tachibana:1982:SQS, author = "Akitomo Tachibana", title = "``Stable'' quasistationary state: {New} solution of the time-dependent {Schr{\"o}dinger} equation", journal = j-IJQC, volume = "22", number = "1", pages = "191--197", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gresh:1982:CII, author = "N. Gresh and P. Claverie and A. Pullman", title = "Computations of intermolecular interactions: {Expansion} of a charge-transfer energy contribution in the framework of an additive procedure. {Applications} to hydrogen-bonded systems", journal = j-IJQC, volume = "22", number = "1", pages = "199--215", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maartensson:1982:BRB, author = "Olle M{\aa}rtensson", title = "Book Review: {{\booktitle{Applications of photochemistry in probing biological targets}}. Edited by A. M. Tometsko and F. W. Richards, Ann. New York Academy of Sciences, New York, NY, 1980. Vol. 346. Price: \$88.00}", journal = j-IJQC, volume = "22", number = "1", pages = "217--217", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Tometsko:1980:APP}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Ac, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "22", number = "1", pages = "219--219", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "1", pages = "fmi--fmii", month = jul, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kent:1982:TBO, author = "R. D. Kent and M. Schlesinger", title = "Two-body operator matrix elements for pure and mixed orbital configurations in the unitary group approach", journal = j-IJQC, volume = "22", number = "2", pages = "223--239", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hurley:1982:ACB, author = "A. C. Hurley", title = "Analysis of the covalent bond: {One} center floating functions for the hydrogen molecule ion", journal = j-IJQC, volume = "22", number = "2", pages = "241--251", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lipinski:1982:DTF, author = "J{\'o}zef Lipi{\'n}ski and Jerzy Leszczy{\'n}ski", title = "Derivation of theoretical formulas for resonance integrals from {Heisenberg} equation of motion", journal = j-IJQC, volume = "22", number = "2", pages = "253--263", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Viana:1982:PSC, author = "Luci Martins Viana and Yuji Takahata", title = "{PCILO} study of the conformation of 20-oxopregnane hormones", journal = j-IJQC, volume = "22", number = "2", pages = "265--274", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nielsen:1982:CRT, author = "Egon S. Nielsen and Jack Simons", title = "Coordinate rotated {TDHF} excitation energies {Li$^{-}$} {$^1$S} $\rightarrow$ {$^1$P}", journal = j-IJQC, volume = "22", number = "2", pages = "275--288", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Colle:1982:RUA, author = "Renato Colle and Oriano Salvetti", title = "Remarks on the use of the average occupation numbers in the {SCF} process for open shell systems", journal = j-IJQC, volume = "22", number = "2", pages = "289--292", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Piecuch:1982:IPM, author = "Piotr Piecuch", title = "Invariance properties of the multipole expansion", journal = j-IJQC, volume = "22", number = "2", pages = "293--298", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moffat:1982:SSE, author = "J. B. Moffat", title = "Structures, stabilities, and energies of isomerization of $\alpha$-cyano and $\alpha$-isocyano carbanions", journal = j-IJQC, volume = "22", number = "2", pages = "299--306", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharyya:1982:GET, author = "Kamal Bhattacharyya", title = "Generalized {Euler} transformation in extracting useful information from divergent (asymptotic) perturbation series and the construction of {Pad{\'e}} approximants", journal = j-IJQC, volume = "22", number = "2", pages = "307--330", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brocas:1982:LHG, author = "J. Brocas and C. Rusu", title = "{Longuet-Higgins} groups of {XeF$_6$}", journal = j-IJQC, volume = "22", number = "2", pages = "331--350", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karadakov:1982:ISA, author = "P. Karadakov and O. Casta{\~n}o", title = "Instabilities of the symmetry-adapted {Restricted-Hartree--Fock} ground state in infinite polyenes. {I}. {Singlet} instabilities", journal = j-IJQC, volume = "22", number = "2", pages = "351--365", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Castano:1982:ISA, author = "O. Casta{\~n}o and P. Karadakov", title = "Instabilities of the symmetry-adapted {restricted-Hartree--Fock} ground state in infinite polyenes. {II}. {Nonsinglet} instabilities", journal = j-IJQC, volume = "22", number = "2", pages = "367--383", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balasubramanian:1982:MCI, author = "K. Balasubramanian", title = "Method for constructing isomerization reactions", journal = j-IJQC, volume = "22", number = "2", pages = "385--395", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hashimoto:1982:UHF, author = "Katsufumi Hashimoto", title = "Unrestricted-Hartree--Fock wave functions approximating low-lying covalent states of ring $\pi$ systems", journal = j-IJQC, volume = "22", number = "2", pages = "397--414", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gaspar:1982:IMCa, author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar", title = "Ab initio molecular calculations with pseudopotentials: {Calculations} of double-zeta quality on ethylene, acetylene, and water", journal = j-IJQC, volume = "22", number = "2", pages = "415--420", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gaspar:1982:IMCb, author = "R. G{\'a}sp{\'a}r and R. {G{\'a}sp{\'a}r, Jr.}", title = "Ab initio molecular calculations with pseudopotentials: {Higher} quality calculations on {Li$_2$}, {LiH}, and {BeH$_2$}", journal = j-IJQC, volume = "22", number = "2", pages = "421--427", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Donati:1982:CTM, author = "E. Donati and E. A. Castro and F. M. Fern{\'a}ndez", title = "Calculation of total molecular energies from an approximate relation between {SCF} orbital, atomic electronic repulsion, and total {SCF} energies", journal = j-IJQC, volume = "22", number = "2", pages = "429--431", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Castro:1982:OCS, author = "Eduardo A. Castro and Enrique J. Vasini", title = "Omission in a comparative study of the structure and properties of {ClF$_2$} and {Cl$_3$} radicals by {CNDO/2} and {INDO} methods", journal = j-IJQC, volume = "22", number = "2", pages = "433--434", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220219", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{De:1982:EST, author = "B. R. De and A. B. Sannigrahi", title = "Electronic structure of triatomic interhalogens", journal = j-IJQC, volume = "22", number = "2", pages = "435--440", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220220", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonchev:1982:GCC, author = "Danail Bonchev and Alexandru T. Balaban and Milan Randi{\'c}", title = "The graph center concept for polycyclic graphs", journal = j-IJQC, volume = "22", number = "2", pages = "441--441", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220221", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1982:BRB, author = "Hans {\AA}gren", title = "Book Review: {{\booktitle{Spin--orbit coupling in molecules}}. By W. C. Richards, H. P. Trivedi, and D. L. Cooper Clarendon Press, Oxford, 1981}", journal = j-IJQC, volume = "22", number = "2", pages = "443--443", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220222", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Richards:1981:SOC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "2", pages = "fmi--fmii", month = aug, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Elander:1982:DWT, author = "Nils Elander and Magnus Rittby and Erkki Br{\"a}ndas", title = "Dilated {Weyl} theory applied to a set of {$N$}-coupled singular second-order differential equations", journal = j-IJQC, volume = "22", number = "3", pages = "445--457", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yamaguchi:1982:OSO, author = "Kizashi Yamaguchi", title = "Orbital symmetry, orbital stability, and orbital pairing rules for organic reactions in the ground state", journal = j-IJQC, volume = "22", number = "3", pages = "459--484", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Christophorov:1982:KTB, author = "L. N. Christophorov and V. V. Gorbach and V. N. Kharkyanen", title = "Kinetic theory of bridge processes", journal = j-IJQC, volume = "22", number = "3", pages = "485--496", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cullen:1982:LBM, author = "John M. Cullen and Michael C. Zerner", title = "Localized bond model for molecular energy to fourth order in perturbation theory", journal = j-IJQC, volume = "22", number = "3", pages = "497--535", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ferreira:1982:EAE, author = "Ricardo Ferreira and Marcelo A. F. Gomes", title = "Electronic aspects of enzymatic catalysis", journal = j-IJQC, volume = "22", number = "3", pages = "537--545", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sawaryn:1982:ISN, author = "A. Sawaryn and J. S. Yadav", title = "Ab initio studies on the nonplanarity of a peptide unit: {Calculations} on model compounds", journal = j-IJQC, volume = "22", number = "3", pages = "547--556", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panin:1982:MRCa, author = "A. I. Panin", title = "Method of recurrent construction of {L{\"o}wdin} spin-adapted wave functions. {I}. {Addition} and subtraction operators", journal = j-IJQC, volume = "22", number = "3", pages = "557--573", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Naray-Szabo:1982:EEC, author = "G. N{\'a}ray-Szab{\'o}", title = "Electrostatic effect on catalytic rate enhancement in serine proteinases", journal = j-IJQC, volume = "22", number = "3", pages = "575--582", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Teitell:1982:MSF, author = "Murray F. Teitell and J. Lawrence Fox", title = "{MO} study of flavin reduction", journal = j-IJQC, volume = "22", number = "3", pages = "583--594", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Clementi:1982:BDS, author = "E. Clementi and G. Corongiu", title = "{B-DNA} structural determination of {Na$^+$} counterions at different humidities, ionic concentrations, and temperatures", journal = j-IJQC, volume = "22", number = "3", pages = "595--630", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Volkmann:1982:TIE, author = "D. Volkmann and B. {\.Z}rawski and D. Heidrich", title = "Theoretical investigation of the electrophilic attack. {IX}. {Ab} initio study of the {C$_2$H$_4$}$\cdot${HF} molecular complex", journal = j-IJQC, volume = "22", number = "3", pages = "631--637", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zielinski:1982:SSU, author = "Theresa Julia Zielinski", title = "{STO-3G} study of uracil, thymine, 5-fluorouracil, 5-methoxyuracil, and their 4-hydroxytautomeric forms", journal = j-IJQC, volume = "22", number = "3", pages = "639--647", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1982:SCF, author = "A. M. Sapse and G. Snyder and A. V. Santoro and L. Herzig", title = "Self consistent field {MO} studies of the vinylguanidinium ion", journal = j-IJQC, volume = "22", number = "3", pages = "649--655", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1982:CMS, author = "Eugene S. Kryachko", title = "Classification of molecular symmetry by framework groups", journal = j-IJQC, volume = "22", number = "3", pages = "657--659", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1982:HCM, author = "Eugene S. Kryachko", title = "Homogeneity characteristic of molecular electronic energies", journal = j-IJQC, volume = "22", number = "3", pages = "661--662", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vassileva:1982:FIC, author = "Julia G. Vassileva", title = "The fourth international colloquium on physical and chemical information transfer in the regulation of reproduction and ageing", journal = j-IJQC, volume = "22", number = "3", pages = "663--663", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "3", pages = "fmi--fmi", month = sep, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sun:1982:SAC, author = "Chia-Chung Sun and Jing-Chang Zhang and Guang-Zhu Jin and Wei-Guo Sun", title = "Symmetry analysis of cycloadditions and electrocyclic reactions", journal = j-IJQC, volume = "22", number = "4", pages = "665--679", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smeyers:1982:FCI, author = "Y. G. Smeyers and A. Hern{\'a}ndez-Laguna", title = "Further calculations on the internal rotation spectrum of phenol", journal = j-IJQC, volume = "22", number = "4", pages = "681--690", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ruelle:1982:EPA, author = "P. Ruelle and C. Sandorfy", title = "Electrostatic potential around halogenated anesthetics. {Acidic} hydrogen; chlorine vs. fluorine", journal = j-IJQC, volume = "22", number = "4", pages = "691--707", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gresh:1982:TSI, author = "Nohad Gresh and Alberte Pullman", title = "Theoretical study of the interaction of nonactin with {Na$^+$}, {K$^+$}, and {NH}", journal = j-IJQC, volume = "22", number = "4", pages = "709--716", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1982:AID, author = "John Avery and Zhen-Yi Wen", title = "Angular integrations in $m$-dimensional spaces and hyperspherical harmonics", journal = j-IJQC, volume = "22", number = "4", pages = "717--738", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Julg:1982:TSA, author = "Andr{\'e} Julg and Alain Allouche", title = "Theoretical study of the adsorption of silver atoms on the (111) face of silicon", journal = j-IJQC, volume = "22", number = "4", pages = "739--752", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharyya:1982:CBS, author = "Sankar Prasad Bhattacharyya and Debashis Mukherjee and Debendra Madhab Bhattacharyya and Priyotosh Khan", title = "Convergence behavior of some orbital optimization procedures", journal = j-IJQC, volume = "22", number = "4", pages = "753--759", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ovchinnikov:1982:PIV, author = "A. A. Ovchinnikov and A. E. Belinskii and I. A. Misurkin and I. I. Ukrainskii", title = "{Peierls} instability and vibrational spectra of polyacetylene", journal = j-IJQC, volume = "22", number = "4", pages = "761--774", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Banerjee:1982:MIS, author = "Manas Banerjee and Sankar Prasad Bhattacharyya", title = "Molecular inversion in the $n$ $\pi$* states: a theoretical investigation of some model systems in a semiempirical molecular orbital framework", journal = j-IJQC, volume = "22", number = "4", pages = "775--782", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duch:1982:SGG, author = "Wlodzislaw Duch and Jacek Karwowski", title = "Symmetric group graphical approach to the direct configuration interaction method", journal = j-IJQC, volume = "22", number = "4", pages = "783--824", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kventsel:1982:PMT, author = "G. F. Kventsel", title = "{Peierls}- and {Mott}-type instabilities in one-dimensional chains---coexistence or contradiction", journal = j-IJQC, volume = "22", number = "4", pages = "825--835", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larsson:1982:CSL, author = "Sven Larsson and Richard Crossley", title = "Calculation of the {$^4$S} {$^4$P$^0$} spectrum of lithiumlike ions by the {Hylleraas} method", journal = j-IJQC, volume = "22", number = "4", pages = "837--849", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hashimoto:1982:RCS, author = "Katsufumi Hashimoto", title = "Relation of the charge and spin correlation functions to the structures of $\pi$ electron wave functions in alternant hydrocarbons", journal = j-IJQC, volume = "22", number = "4", pages = "851--862", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "4", pages = "fmi--fmii", month = oct, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Minaev:1982:QCC, author = "B. F. Minaev and Z. M. Muldahmetov and I. S. Irgibaeva and T. O. Tlepbergenov and D. M. Kizhner", title = "Quantum chemical calculation of phosphorescence microwave double resonance spectra", journal = j-IJQC, volume = "22", number = "5", pages = "863--869", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ghosh:1982:QFD, author = "S. K. Ghosh and B. M. Deb", title = "Quantum fluid dynamics of many-electron systems in three-dimensional space", journal = j-IJQC, volume = "22", number = "5", pages = "871--888", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Luken:1982:ESO, author = "William L. Luken", title = "Evaluation of the second-order reduced density matrix for correlated electronic wave functions", journal = j-IJQC, volume = "22", number = "5", pages = "889--902", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Trsic:1982:ESB, author = "Milan Trsic and Kim Wagstaff and William G. Laidlaw", title = "Electronic structure and bonding of the pentasulfur hexanitride {(S$_5$N$_6$)} molecule", journal = j-IJQC, volume = "22", number = "5", pages = "903--910", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stolarczyk:1982:DCL, author = "Leszek Z. Stolarczyk and Lucjan Piela", title = "Direct calculation of lattice sums. {A} method to account for the crystal field effects", journal = j-IJQC, volume = "22", number = "5", pages = "911--927", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Surjan:1982:CAB, author = "Peter R. Surj{\'a}n and G{\'a}bor N{\'a}ray-Szab{\'o} and Istv{\'a}n Mayer", title = "Conformational analysis by bond orbitals with delocalization corrections: {Rotation} of the ser-195 side chain in $\alpha$-chymotrypsin", journal = j-IJQC, volume = "22", number = "5", pages = "929--938", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bohm:1982:REP, author = "Michael C. B{\"o}hm", title = "Reorganization effects in the photoelectron spectra of transition metal compounds: {A Green}'s function study in the framework of a variable {INDO} {Hamiltonian}", journal = j-IJQC, volume = "22", number = "5", pages = "939--970", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Olson:1982:ESR, author = "John A. Olson and David A. Micha", title = "Electronic state representations at molecular potential pseudocrossings", journal = j-IJQC, volume = "22", number = "5", pages = "971--988", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Alonso:1982:SAR, author = "J. A. Alonso and D. J. Gonz{\'a}lez and L. C. Balb{\'a}s", title = "Study of an approximate relation between the energy of an atom and the electronic potential at the nucleus", journal = j-IJQC, volume = "22", number = "5", pages = "989--997", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Besnainou:1982:CMA, author = "Sylvette Besnainou and James Stone and Jean-Claude Diels", title = "Coherent multiphoton absorption: {Dependency} on the relative phase of two successive pulses", journal = j-IJQC, volume = "22", number = "5", pages = "999--1003", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Donnamaria:1982:CDS, author = "Maria C. Donnamaria and Eduardo A. Castro and Francisco M. Fern{\'a}ndez", title = "Calculation of diamagnetic susceptibilities from the {Thomas--Fermi--Amaldi} theory for ions", journal = j-IJQC, volume = "22", number = "5", pages = "1005--1011", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balasubramanian:1982:SOG, author = "K. Balasubramanian", title = "Symmetry operators of generalized wreath products and their applications to chemical physics", journal = j-IJQC, volume = "22", number = "5", pages = "1013--1031", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karadakov:1982:NDS, author = "P. Karadakov and O. Casta{\~n}o", title = "New derivation of (in)stability conditions for projected {Hartree--Fock} solutions", journal = j-IJQC, volume = "22", number = "5", pages = "1033--1036", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaur:1982:DSC, author = "Livjeet Kaur", title = "Diamagnetic shielding constants of first-row atoms: {Studies} with a piecewise exponentially decaying electron density function", journal = j-IJQC, volume = "22", number = "5", pages = "1037--1039", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schlegel:1982:IMO, author = "H. Bernhard Schlegel", title = "Ab initio molecular orbital study of the tautomerism of 4-hydroxy-2-pyridinone", journal = j-IJQC, volume = "22", number = "5", pages = "1041--1047", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nguyen-Dang:1982:SPL, author = "T. T. Nguyen-Dang and R. F. W. Bader and H. Ess{\'e}n", title = "Some properties of the {Lagrange} multiplier $\mu$ in density functional theory", journal = j-IJQC, volume = "22", number = "5", pages = "1049--1058", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cowan:1982:SSB, author = "Jack D. Cowan", title = "Spontaneous symmetry breaking in large scale nervous activity", journal = j-IJQC, volume = "22", number = "5", pages = "1059--1082", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1982:BRBa, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Quantum dynamics of molecules: The new experimental challenge to theorists}}. Edited by R. G. Woolley. NATO Advanced Study Institute Series B57, Plenum, New York and London, 1980}", journal = j-IJQC, volume = "22", number = "5", pages = "1083--1084", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220519", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Woolley:1980:QDM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1982:BRBb, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Spin Eigenfunctions: Construction and use}}. By Ruben Pauncz. Plenum, New York and London, 1979}", journal = j-IJQC, volume = "22", number = "5", pages = "1083--1084", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220520", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Pauncz:1979:SEC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "5", pages = "fmi--fmii", month = nov, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Payne:1982:MEF, author = "Philip W. Payne", title = "Matrix element factorization in the unitary group approach for configuration interaction calculations", journal = j-IJQC, volume = "22", number = "6", pages = "1085--1152", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Muszynska:1982:BAP, author = "J. Muszy{\'n}ska and D. Papierowska and J. Pipin and W. Wo{\'z}nicki", title = "Bounds to atomic properties: {Electric} polarizabilities of lithium isoelectronic sequence ions", journal = j-IJQC, volume = "22", number = "6", pages = "1153--1175", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panin:1982:MRCb, author = "A. I. Panin", title = "Method of recurrent construction of {L{\"o}wdin} spin-adapted wave functions. {II}. {Local} representation of creation--annihilation operators", journal = j-IJQC, volume = "22", number = "6", pages = "1177--1188", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mohammad:1982:THB, author = "S. Noor Mohammad and A. J. Hopfinger", title = "Treatment of hydrogen bonding within {CNDO/2} and {MINDO} \slash 3: {CNDO \slash 2H} and {MINDO \slash 3H}", journal = j-IJQC, volume = "22", number = "6", pages = "1189--1207", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sun:1982:SAS, author = "Chia-Chung Sun and Wei-Guo Sun and Jing-Chang Zhang and Guang-Zhu Jin", title = "Symmetry analysis of sigmatropic rearrangements", journal = j-IJQC, volume = "22", number = "6", pages = "1209--1220", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowe:1982:TAK, author = "John P. Lowe", title = "Theoretical analysis of {K}-region and bay-region indicators of carcinogenicity", journal = j-IJQC, volume = "22", number = "6", pages = "1221--1247", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Magnoli:1982:OSC, author = "Douglas E. Magnoli and Joseph R. Murdoch", title = "Obtaining self-consistent wave functions which satisfy the virial theorem", journal = j-IJQC, volume = "22", number = "6", pages = "1249--1262", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Requena:1982:PRR, author = "A. Requena and R. Pe{\~n}a and A. Serna", title = "Perturbation for a rigid rotator in an electric field", journal = j-IJQC, volume = "22", number = "6", pages = "1263--1270", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Politzer:1982:CPS, author = "Peter Politzer and Timothy R. Proctor", title = "Calculated properties of some possible vinyl chloride metabolites", journal = j-IJQC, volume = "22", number = "6", pages = "1271--1279", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paldus:1982:CAF, author = "J. Paldus and M. J. Boyle", title = "Cluster analysis of the full configuration interaction wave functions of cyclic polyene models", journal = j-IJQC, volume = "22", number = "6", pages = "1281--1305", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lipkowitz:1982:A, author = "K. B. Lipkowitz and D. B. Boyd", title = "Announcement", journal = j-IJQC, volume = "22", number = "6", pages = "1307--1307", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1982:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "6", pages = "fmi--fmii", month = dec, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Urry:1982:HEC, author = "Dan W. Urry", title = "{Henry Eyring} (1901--1981): {A} 20th-century architect of cathedrals of science", journal = j-IJQC, volume = "22", number = "S9", pages = "1--3", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowe:1982:TSR, author = "John P. Lowe", title = "Theoretical study of relations between bay-region and {K}-region indices of carcinogenicity", journal = j-IJQC, volume = "22", number = "S9", pages = "5--13", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bakale:1982:QEA, author = "George Bakale and Richard D. McCreary and Earle C. Gregg", title = "Quasifree electron attachment to carcinogens", journal = j-IJQC, volume = "22", number = "S9", pages = "15--25", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Szent-Gyorgyi:1982:BOC, author = "Albert Szent-Gy{\"o}rgyi", title = "Biological oxidation and cancer", journal = j-IJQC, volume = "22", number = "S9", pages = "27--30", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Urry:1982:MSI, author = "Dan W. Urry and Tina L. Trapane and Kari U. Prasad", title = "Molecular structure and ionic mechanisms of an ion-selective transmembrane channel: {Monovalent} versus divalent cation selectivity", journal = j-IJQC, volume = "22", number = "S9", pages = "31--40", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Denner:1982:PTB, author = "V. Denner and F. Kaiser", title = "Phase transition behavior of a greater membrane model", journal = j-IJQC, volume = "22", number = "S9", pages = "41--57", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Findley:1982:GGC, author = "A. M. Findley and G. L. Findley", title = "The generalized genetic code. {A} note on order-isomorphism\slash order-equivalence relations", journal = j-IJQC, volume = "22", number = "S9", pages = "59--63", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sarma:1982:SDD, author = "Ramaswamy H. Sarma", title = "Structures of {DNA} double helix", journal = j-IJQC, volume = "22", number = "S9", pages = "65--80", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pack:1982:TIE, author = "George R. Pack", title = "Theory of ion effects on {DNA} conformation: {A} high-salt model", journal = j-IJQC, volume = "22", number = "S9", pages = "81--101", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Corbin:1982:MEP, author = "Sylvie Corbin and Richard Lavery and Bernard Pullman", title = "The molecular electrostatic potential of {DNA}: {The} effect of countercation screening on various allomorphic forms", journal = j-IJQC, volume = "22", number = "S9", pages = "103--110", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Broch:1982:EPS, author = "H. Broch and D. Cabrol and D. Vasilescu", title = "Electrostatic properties of some sulfur-containing radioprotectors", journal = j-IJQC, volume = "22", number = "S9", pages = "111--123", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hingerty:1982:BDA, author = "B. E. Hingerty and S. Broyde", title = "Base displacement in {AAF} and {AF} modified {dCpdG}: {\em syn\/} and {\em anti\/} guanine", journal = j-IJQC, volume = "22", number = "S9", pages = "125--136", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gascoyne:1982:FRP, author = "Peter R. C. Gascoyne and Martyn C. R. Symons and Jane A. Mclaughlin and Albert Szent-Gy{\"o}rgyi", title = "Free radicals produced in the interaction of cysteine with carbonyls of biological relevance", journal = j-IJQC, volume = "22", number = "S9", pages = "137--143", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Saran:1982:SIS, author = "Anil Saran and M. M. Dhingra", title = "Structure of the intermediate species of the photoreaction cycle of rhodopsin", journal = j-IJQC, volume = "22", number = "S9", pages = "145--156", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Oie:1982:SCS, author = "Tetsuro Oie and Gerald M. Maggiora and Ralph E. Christoffersen", title = "Structural characterization of a special-pair chlorophyll dimer model of {P700}", journal = j-IJQC, volume = "22", number = "S9", pages = "157--171", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hochmann:1982:IEC, author = "P. Hochmann and S. P. Mcglynn and G. L. Findley", title = "Ionization energy correlations for alkyl-substituted chromophores", journal = j-IJQC, volume = "22", number = "S9", pages = "173--179", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Matsuno:1982:TCP, author = "Koichiro Matsuno", title = "A theoretical construction of protobiological synthesis: {From} amino acids to functional protocells", journal = j-IJQC, volume = "22", number = "S9", pages = "181--193", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fox:1982:UEP, author = "Sidney W. Fox and Tadayoshi Nakashima and Aleksander Przybylski and Robert M. Syren", title = "The updated experimental proteinoid model", journal = j-IJQC, volume = "22", number = "S9", pages = "195--204", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nichols:1982:ESI, author = "David E. Nichols and Herschel J. R. Weintraub", title = "Effects of steric interactions on models of charge-transfer complexes: {A} preliminary report", journal = j-IJQC, volume = "22", number = "S9", pages = "205--211", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Clement:1982:CTN, author = "Enrico Clement and Giorgina Corongiu", title = "Charge transfer in nucleic acids", journal = j-IJQC, volume = "22", number = "S9", pages = "213--221", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Oie:1982:ISC, author = "Tetsuro Oie and Gilda H. Loew and Stanley K. Burt and J. Stephen Binkley and Robert D. MacElroy", title = "Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: {Ammonia}-formic acid and ammonia-glycine reactions", journal = j-IJQC, volume = "22", number = "S9", pages = "223--245", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Saran:1982:MOS, author = "Anil Saran and Lalit N. Patnaik", title = "Molecular orbital studies on nucleoside antibiotics. {VI}. {Conformation} of 5-vinyl- and 5-ethynyl-$2^\prime$-deoxyuridines", journal = j-IJQC, volume = "22", number = "S9", pages = "247--257", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hariharan:1982:QCC, author = "P. C. Hariharan and Victor Lewchenko and Walter S. Koski and Joyce J. Kaufman", title = "Quantum chemical calculations for understanding and predicting toxicity. {I}. {Ab} initio {MODPOT\slash VRDDO} calculations and electrostatic molecular potential contour maps of organophosphorus anticholinesterases", journal = j-IJQC, volume = "22", number = "S9", pages = "259--274", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lewchenko:1982:QCC, author = "Victor Lewchenko and P. C. Hariharan and Walter S. Koski and Joyce J. Kaufman", title = "Quantum chemical calculations for understanding and predicting toxicity. {II}. {The} phosphorylation step in the inhibition of ache by organophosphorus anticholinesterases", journal = j-IJQC, volume = "22", number = "S9", pages = "275--280", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kothekar:1982:CQC, author = "V. Kothekar", title = "Conformational and quantum chemical studies on prostaglandins", journal = j-IJQC, volume = "22", number = "S9", pages = "281--288", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lozes:1982:LEE, author = "Richard L. Lozes and John R. Sabin", title = "Localized electronic excitation in a hydrogen bond", journal = j-IJQC, volume = "22", number = "S9", pages = "289--296", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sapse:1982:ISR, author = "Anne Marie Sapse and Grace Snyder", title = "An ab initio study of the reaction pathway between a mitomycin fragment model and ammonia", journal = j-IJQC, volume = "22", number = "S9", pages = "297--305", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Politzer:1982:SRP, author = "Peter Politzer and Winston L. Hedges", title = "A study of the reactive properties of the chlorinated ethylenes", journal = j-IJQC, volume = "22", number = "S9", pages = "307--319", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Spark:1982:CAF, author = "M. J. Spark and D. A. Winkler and P. R. Andrews", title = "Conformational analysis of folates and folate analogues", journal = j-IJQC, volume = "22", number = "S9", pages = "321--333", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brandt:1982:PTS, author = "Richard B. Brandt and Mark E. Brandt and Michael E. April and Colin Thomson", title = "Potential transition-state inhibitors of glyoxalase. {I}", journal = j-IJQC, volume = "22", number = "S9", pages = "335--343", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Andrews:1982:DTS, author = "P. R. Andrews and M. N. Iskander and G. P. Jones and D. A. Winkler", title = "Design of transition-state analogues for {GABA}-transaminase", journal = j-IJQC, volume = "22", number = "S9", pages = "345--353", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Venanzi:1982:SEE, author = "Carol A. Venanzi and Harel Weinstein and Georgina Corongiu and Enrico Clementi", title = "The solvent effect in enzyme--substrate interactions: {Models} of carboxypeptidase", journal = j-IJQC, volume = "22", number = "S9", pages = "355--365", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Behi:1982:EDH, author = "Joy Behi and Stephen Bone and Hywel Morgan and Ronald Pethig", title = "Effect of deuterium-hydrogen exchange on the electrical conduction in lysozyme", journal = j-IJQC, volume = "22", number = "S9", pages = "367--374", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sibert:1982:LME, author = "Edwin L. {Sibert III} and John S. Hutchinson and William P. Reinhardt and James T. Hynes", title = "Local mode energy transfer: {Ebb} and flow", journal = j-IJQC, volume = "22", number = "S9", pages = "375--383", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Larsson:1982:ETB, author = "Sven Larsson", title = "Electron transfer in biological systems", journal = j-IJQC, volume = "22", number = "S9", pages = "385--397", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pohl:1982:NCE, author = "Herbert A. Pohl", title = "Natural cellular electrical resonances", journal = j-IJQC, volume = "22", number = "S9", pages = "399--409", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Zakrzewska:1982:DEP, author = "K. Zakrzewska and A. Pullman", title = "The dependence of the electrostatic properties of model phospholipid monolayers on their molecular organization", journal = j-IJQC, volume = "22", number = "S9", pages = "411--424", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1982:Ad, author = "Anonymous", title = "Abstracts", journal = j-IJQC, volume = "22", number = "S9", pages = "425--427", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1982:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "S9", pages = "fmi--fmi", day = "4--6", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:37 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Raveche:1982:DJM, author = "Harold J. Ravech{\'e}", title = "Dedication to {Joseph E. Mayer}", journal = j-IJQC, volume = "22", number = "S16", pages = "2--13", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Friedman:1982:OR, author = "Bengt Friedman", title = "Opening remarks", journal = j-IJQC, volume = "22", number = "S16", pages = "15--17", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Band:1982:IDC, author = "William Band", title = "Introduction to {Dr. Chen-Ning Yang}", journal = j-IJQC, volume = "22", number = "S16", pages = "19--19", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yang:1982:JMS, author = "Chen-Ning Yang", title = "{Joseph Mayer} and statistical mechanics", journal = j-IJQC, volume = "22", number = "S16", pages = "21--24", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kubo:1982:FRR, author = "Ryogo Kubo", title = "Fluctuation, response, and relaxation: {The} linear response theory revisited", journal = j-IJQC, volume = "22", number = "S16", pages = "25--32", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Percus:1982:NFG, author = "J. K. Percus", title = "Nonuniform fluids in the grand canonical ensemble", journal = j-IJQC, volume = "22", number = "S16", pages = "33--48", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Alder:1982:CSP, author = "B. J. Alder and D. M. Ceperley and E. L. Pollock", title = "Computer simulation of phase transitions in classical and quantum systems", journal = j-IJQC, volume = "22", number = "S16", pages = "49--61", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Dorfman:1982:VEE, author = "J. R. Dorfman and E. G. D. Cohen", title = "The virial expansion in equilibrium and nonequilibrium statistical mechanics", journal = j-IJQC, volume = "22", number = "S16", pages = "63--81", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Marchetti:1982:NIF, author = "M. Christina Marchetti and James W. Dufty", title = "Nonlinear irreversible fluxes in a fluid with large shear rate", journal = j-IJQC, volume = "22", number = "S16", pages = "83--89", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Garland:1982:CSV, author = "Gregory E. Garland and James W. Dufty", title = "Computer simulation of the velocity autocorrelation function at low density", journal = j-IJQC, volume = "22", number = "S16", pages = "91--100", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{VanKampen:1982:CED, author = "N. G. {Van Kampen}", title = "Cluster expansions for diffusion-controlled reactions", journal = j-IJQC, volume = "22", number = "S16", pages = "101--115", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Rajabali:1982:GKH, author = "Gholomabbas Rajabali and Robert M. Mazo", title = "Generalization of the {Kikuchi--Hijmans--de Boer} method for order-disorder problems to complex lattices", journal = j-IJQC, volume = "22", number = "S16", pages = "117--123", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Band:1982:PIM, author = "William Band", title = "Physical interpretation of the mathematical singularities in the continuum strain fields conventionally associated with crystal lattice dislocations", journal = j-IJQC, volume = "22", number = "S16", pages = "125--136", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Stillinger:1982:SIB, author = "F. H. Stillinger", title = "Structure of the interface between coexisting fluid phases", journal = j-IJQC, volume = "22", number = "S16", pages = "137--147", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Isihara:1982:CIP, author = "A. Isihara and L. Ioriatti", title = "Correlation-induced phase transitions in two-dimensional electron systems", journal = j-IJQC, volume = "22", number = "S16", pages = "149--158", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hecht:1982:PTD, author = "C. E. Hecht and D. Henderson and A. Tani", title = "Perturbation theory for dipolar hard spheres", journal = j-IJQC, volume = "22", number = "S16", pages = "159--165", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tabor:1982:ASI, author = "Michael Tabor", title = "Analytic structure and integrability of dynamical systems", journal = j-IJQC, volume = "22", number = "S16", pages = "167--181", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lippert:1982:QSE, author = "E. Lippert and C. A. Chatzidimitriou-Dreismann", title = "A quantum statistical estimation of the amount of energy dissipated by molecular relaxation processes in liquids", journal = j-IJQC, volume = "22", number = "S16", pages = "183--194", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Chatzidimitriou-Dreismann:1982:RPQ, author = "C. A. Chatzidimitriou-Dreismann and E. Lippert", title = "On the removal of {Prigogine}'s quantum statistical ``degeneracy'' in the theory of molecular systems", journal = j-IJQC, volume = "22", number = "S16", pages = "195--204", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Naghizadeh:1982:MSC, author = "J. Naghizadeh", title = "Melting of short-chain polymers", journal = j-IJQC, volume = "22", number = "S16", pages = "205--214", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Laurenzi:1982:IME, author = "B. J. Laurenzi and C. Litto", title = "Isoelectronic molecules: {The} 13-, 14-, and 22- electron diatomic sequences", journal = j-IJQC, volume = "22", number = "S16", pages = "215--226", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Careri:1982:PFI, author = "Giorgio Careri", title = "Periodic flow instabilities in the wake of an ion", journal = j-IJQC, volume = "22", number = "S16", pages = "227--236", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fisher:1982:FCN, author = "Michael E. Fisher", title = "Fluid criticality near walls and between plates", journal = j-IJQC, volume = "22", number = "S16", pages = "237--240", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bleick:1982:NCT, author = "W. E. Bleick", title = "New coordinates for three-body problems", journal = j-IJQC, volume = "22", number = "S16", pages = "241--245", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lim:1982:EFE, author = "T. K. Lim", title = "Excess free energy changes for binary mixed electrolytes at vanishing ionic strengths", journal = j-IJQC, volume = "22", number = "S16", pages = "247--257", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lim:1982:WHC, author = "T. K. Lim and C. G. Jesudason", title = "{Waller--Hartree} {CI} calculations", journal = j-IJQC, volume = "22", number = "S16", pages = "259--264", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Luken:1982:MFH, author = "William L. Luken and John C. Culberson", title = "Mobility of the {Fermi} hole in a single-determinant wavefunction", journal = j-IJQC, volume = "22", number = "S16", pages = "265--276", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Weatherford:1982:KVP, author = "Charles A. Weatherford", title = "{Kohn} variational principle for a sphere of arbitrary radius", journal = j-IJQC, volume = "22", number = "S16", pages = "277--284", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Curtiss:1982:IMO, author = "L. A. Curtiss and A. Heinricher", title = "ab initio molecular orbital studies of the structure and stability of the {BeAl$_2$F$_8$} complex", journal = j-IJQC, volume = "22", number = "S16", pages = "285--291", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kobeissi:1982:SEE, author = "Hafez Kobeissi", title = "Separate eigenvalue equations for the rotational constants for any potential in diatomic molecules", journal = j-IJQC, volume = "22", number = "S16", pages = "293--300", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220831", ISSN = "0020-7608 (print), 1097-461x (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 JUN 2009", } @Article{Cullen:1982:FOC, author = "John M. Cullen and Michael C. Zerner", title = "Fourth-Order constant denominator perturbation theory", journal = j-IJQC, volume = "22", number = "S16", pages = "301--317", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 JUN 2009", } @Article{Adams:1982:CTC, author = "William H. Adams", title = "Can there be a convergent perturbation theory of intermolecular energies?", journal = j-IJQC, volume = "22", number = "S16", pages = "319--330", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Green:1982:APS, author = "A. E. S. Green and D. E. Rio and P. F. Schippnick and J. M. Schwartz and P. S. Ganas", title = "Analytic phase shifts for {Yukawa} potentials", journal = j-IJQC, volume = "22", number = "S16", pages = "331--343", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Beck:1982:SNI, author = "Donald R. Beck", title = "On the spectrum of negative ions and the charge density of the ground state of neutral neon", journal = j-IJQC, volume = "22", number = "S16", pages = "345--355", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sabljic:1982:SRT, author = "Aleksandar Sablji{\'c} and Abe Auerbach and Ruth McDiarmid", title = "Symmetry of {Rydberg} transitions in 1,4-cyclohexadiene: {Multiphoton} ionization investigation", journal = j-IJQC, volume = "22", number = "S16", pages = "357--362", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hariharan:1982:IMV, author = "P. C. Hariharan and Walter S. Koski and Joyce J. Kaufman and Richard S. Miller and Alfred H. Lowrey", title = "Ab {Initio MODPOT\slash VRDDO\slash MERGE} calculations on energetic compounds. {II}. {Nitroexplosives}: {RDX} and $\alpha$-, $\beta$- and {$\delta$-HMX}", journal = j-IJQC, volume = "22", number = "S16", pages = "363--375", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Swaminathan:1982:SCE, author = "P. K. Swaminathan and David A. Micha", title = "A self-consistent eikonal treatment of photodissociation by visible radiation", journal = j-IJQC, volume = "22", number = "S16", pages = "377--390", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Duke:1982:SIM, author = "Brian J. Duke", title = "Simulated ab initio molecular orbital methods for polymers", journal = j-IJQC, volume = "22", number = "S16", pages = "391--407", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Clementi:1982:TCC, author = "E. Clementi and G. Corongiu and M. Gratarola and P. Habitz and C. Lupo and P. Otto and D. Vercauteren", title = "Theoretical and computational chemistry of complex systems: {Solvation} of {DNA} and proteins", journal = j-IJQC, volume = "22", number = "S16", pages = "409--433", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Chuljian:1982:IET, author = "D. T. Chuljian and J. Ozment and J. Simons", title = "Intramolecular energy transfer and predissociation in {C}-state {HCN}", journal = j-IJQC, volume = "22", number = "S16", pages = "435--444", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Alexander:1982:ICH, author = "S. A. Alexander and F. A. Matsen", title = "Ab initio calculations of {H$_2$O $\rightarrow$ OH $+$ H}", journal = j-IJQC, volume = "22", number = "S16", pages = "445--450", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Woodruff:1982:ECL, author = "Truman O. Woodruff", title = "Excitation of core levels in nonmetallic solids: {Some} theoretical problems", journal = j-IJQC, volume = "22", number = "S16", pages = "451--456", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Csavinszky:1982:NSP, author = "P. Csavinszky and K. R. Brownstein", title = "Nonlinear screening of positive and negative point charges in {GaAs}", journal = j-IJQC, volume = "22", number = "S16", pages = "457--462", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bonchev:1982:CIT, author = "D. Bonchev and N. Trinajsti{\'c}", title = "Chemical information theory: {Structural} aspects", journal = j-IJQC, volume = "22", number = "S16", pages = "463--480", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Oriade:1982:PRW, author = "J. O. Oriade", title = "Product representation weights for {Brillouin} zone integrals in the biquadratic limit", journal = j-IJQC, volume = "22", number = "S16", pages = "481--484", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1982:OSH, author = "Per-Olov L{\"o}wdin", title = "On operators, superoperators, {Hamiltonians}, and {Liouvillians}", journal = j-IJQC, volume = "22", number = "S16", pages = "485--560", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Laidig:1982:LOC, author = "William D. Laidig and George D. {Purvis III} and Rodney J. Bartlett", title = "Localized orbitals in the coupled cluster singles and doubles model", journal = j-IJQC, volume = "22", number = "S16", pages = "561--573", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Simons:1982:EPS, author = "Jack Simons", title = "Electron propagator studies of molecular anions", journal = j-IJQC, volume = "22", number = "S16", pages = "575--581", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Oddershede:1982:RBP, author = "Jens Oddershede", title = "On the relations between the polarization propagator, the principal propagator, and the particle-hole propagator", journal = j-IJQC, volume = "22", number = "S16", pages = "583--589", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Goscinski:1982:AGP, author = "Osvaldo Goscinski", title = "Antisymmetrized geminal power {(AGP)} wave-functions in finite and extended systems", journal = j-IJQC, volume = "22", number = "S16", pages = "591--603", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kurtz:1982:CGA, author = "Henry A. Kurtz and Nils Elander", title = "On the calculation of generalized antisymmetric geminal power {(GAGP)} wavefunctions", journal = j-IJQC, volume = "22", number = "S16", pages = "605--614", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jensen:1982:PPO, author = "H. J. A. A. Jensen and B. Weiner and J. V. Ortiz and Y. {\"O}hrn", title = "A powerful procedure for optimizing {AGP} states", journal = j-IJQC, volume = "22", number = "S16", pages = "615--631", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Born:1982:OME, author = "Gregory Born", title = "{${\rm U}(n)$} operator manifolds for electron propagator applications", journal = j-IJQC, volume = "22", number = "S16", pages = "633--639", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Winkler:1982:PVD, author = "Peter Winkler", title = "Propagator version of the direct {Siegert} method", journal = j-IJQC, volume = "22", number = "S16", pages = "641--648", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kaufman:1982:CSU, author = "Joyce J. Kaufman", title = "Computational strategy using improved virtual orbitals to ensure orthogonality of excited states to the ground state and to each other for calculation of transition matrix elements", journal = j-IJQC, volume = "22", number = "S16", pages = "649--651", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Donnelly:1982:CRP, author = "Robert A. Donnelly", title = "Coordinate-rotated propagator calculation on an {N$_2$} shape resonance", journal = j-IJQC, volume = "22", number = "S16", pages = "653--659", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Oriade:1982:ESE, author = "Joseph Oriade", title = "Evaluation of a self-energy graph for the homogeneous electron gas", journal = j-IJQC, volume = "22", number = "S16", pages = "661--664", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yaris:1982:PMP, author = "Robert Yaris", title = "Propagators in a model of polymer dynamics: {The} inclusion of chain--chain interactions in a model of polymer local main chain motion", journal = j-IJQC, volume = "22", number = "S16", pages = "665--665", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nagel:1982:SRR, author = "Bengt Nagel", title = "Some results on the relation between two projectors in {Hilbert} space", journal = j-IJQC, volume = "22", number = "S16", pages = "666--666", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Datta:1982:CNI, author = "Sunil K. Datta", title = "Changes in the Near {IR} Spectra of {CoXF$_6$}, {6R$_2$O (X $=$ Si, Ti; R $=$ H, D)} During Phase Transition", journal = j-IJQC, volume = "22", number = "S16", pages = "667--667", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Guberman:1982:DEA, author = "Steven L. Guberman", title = "The doubly excited autoionizing states of {H$_2$}", journal = j-IJQC, volume = "22", number = "S16", pages = "668--668", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tatar:1982:ACP, author = "Robert C. Tatar and Sohrab Rabii", title = "Application of configuration propagator theory to graphite intercalation compounds", journal = j-IJQC, volume = "22", number = "S16", pages = "669--670", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Buff:1982:SDG, author = "Frank P. Buff", title = "Shape dependence of the grand potential", journal = j-IJQC, volume = "22", number = "S16", pages = "671--671", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1982:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "22", number = "S16", pages = "fmi--fmi", day = "1--13", month = mar, year = "1982", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560220801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 14:59:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Theory of Condensed Matter, and Propagator Methods in the Quantum Theory of Matter.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Deb:1983:NMD, author = "B. M. Deb and S. K. Ghosh", title = "New method for the direct calculation of electron density in many-electron systems. {I}. {Application} to closed-shell atoms", journal = j-IJQC, volume = "23", number = "1", pages = "1--26", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fukutome:1983:CBC, author = "Hideo Fukutome and Katsufumi Hashimoto", title = "Characterization of bond and current correlation structures in a molecular many-electron wave function", journal = j-IJQC, volume = "23", number = "1", pages = "27--45", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brickmann:1983:QDW, author = "J{\"u}rgen Brickmann and Peter C. Schmidt", title = "Quantum dynamics of wave packets on phase space cells in nonlinearly coupled oscillators", journal = j-IJQC, volume = "23", number = "1", pages = "47--63", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jensen:1983:APC, author = "Hans J{\o}rgen Aa. Jensen and Brian Weiner and Yngve {\"O}hrn", title = "{AGP} {Propagator} calculations", journal = j-IJQC, volume = "23", number = "1", pages = "65--70", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baba-Ahmed:1983:IJU, author = "A. Baba-Ahmed and J. Gayoso", title = "Integrals {I$_{rs}$} and {J$_{rs}$} used in the computation of magnetic quantities by means of the {McWeeny} coupled perturbation method", journal = j-IJQC, volume = "23", number = "1", pages = "71--80", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Datzeff:1983:SE, author = "A. B. Datzeff", title = "Structure of the electron", journal = j-IJQC, volume = "23", number = "1", pages = "81--84", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Frishberg:1983:DME, author = "C. Frishberg and L. Massa", title = "Density matrix equation for crystals", journal = j-IJQC, volume = "23", number = "1", pages = "85--89", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Froelich:1983:SAP, author = "Piotr Froelich and Erkki Br{\"a}ndas", title = "Some analytical properties of the dilated {SCF Equations}", journal = j-IJQC, volume = "23", number = "1", pages = "91--98", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thomas:1983:CLQ, author = "L. H. Thomas", title = "Classical limit of quantum mechanics in the large", journal = j-IJQC, volume = "23", number = "1", pages = "99--113", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kibler:1983:CGC, author = "M. R. Kibler", title = "{Clebsch--Gordan} coefficients for chains of groups of interest in quantum chemistry. {III}. {The} point symmetry groups", journal = j-IJQC, volume = "23", number = "1", pages = "115--125", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ludenta:1983:TFT, author = "Eduardo V. Lude{\~n}ta", title = "{Thomas--Fermi} term as the simplest correction to the {Weizsacker} term", journal = j-IJQC, volume = "23", number = "1", pages = "127--133", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hermann:1983:LPL, author = "M. R. Hermann and P. W. Langhoff", title = "{L}{\"o}wdin partitioning in a {Lanczos} basis: {Applications} to scattering states", journal = j-IJQC, volume = "23", number = "1", pages = "135--146", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sadlej:1983:CEE, author = "Andrzej J. Sadlej", title = "Correlation effects in externally perturbed many-electron systems", journal = j-IJQC, volume = "23", number = "1", pages = "147--167", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sun:1983:LGU, author = "Chia-Chung Sun and Yan-De Han and Be-Fu Li and Qian-Shu Li", title = "Lie groups and unitary transformations in ligand field theory", journal = j-IJQC, volume = "23", number = "1", pages = "169--183", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Phillips:1983:CPH, author = "Philip Phillips and Ernest R. Davidson", title = "Chemical potential for harmonically interacting particles in a harmonic potential", journal = j-IJQC, volume = "23", number = "1", pages = "185--194", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tachibana:1983:CSQ, author = "Akitomo Tachibana", title = "Concept of the ``stability'' of the quantum mechanical state", journal = j-IJQC, volume = "23", number = "1", pages = "195--215", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Au-Chin:1983:COU, author = "Tang Au-Chin and Guo Hong", title = "Characteristic operators and unitarily invariant decomposition of {Hermitian} operators", journal = j-IJQC, volume = "23", number = "1", pages = "217--226", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thakkar:1983:IFC, author = "Ajit J. Thakkar", title = "Interatomic forces and {Compton} profiles", journal = j-IJQC, volume = "23", number = "1", pages = "227--234", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230121", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wagner:1983:CSH, author = "A. J. Wagner", title = "Comparative study of the {Hartree--Fock} and the {Hartree--Fock--Slater} method", journal = j-IJQC, volume = "23", number = "1", pages = "235--248", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230122", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cohen:1983:CHE, author = "Leon Cohen and C. Frishberg", title = "Correlation hole for an exactly solvable problem", journal = j-IJQC, volume = "23", number = "1", pages = "249--255", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230123", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cooper:1983:EMV, author = "Ian L. Cooper and Christopher N. M. Pounder", title = "Effect of modified virtual orbitals on local {Coulomb} correlation holes in {FCN}", journal = j-IJQC, volume = "23", number = "1", pages = "257--270", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230124", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leroy:1983:SCS, author = "G. Leroy", title = "Stability of chemical species", journal = j-IJQC, volume = "23", number = "1", pages = "271--308", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230125", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laaksonen:1983:TDFa, author = "Leif Laaksonen and Pekka Pyykk{\"o} and Dage Sundholm", title = "Two-dimensional fully numerical solutions of molecular {Schr{\"o}dinger} equations. {I}. {One}-electron molecules", journal = j-IJQC, volume = "23", number = "1", pages = "309--317", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230126", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laaksonen:1983:TDFb, author = "Leif Laaksonen and Pekka Pyykk{\"o} and Dage Sundholm", title = "Two-Dimensional fully numerical solutions of molecular {Schr{\"o}dinger} equations. {II}. {Solution} of the {Poisson} equation and results for singlet states of {H$_2$} and {HeH$^+$}", journal = j-IJQC, volume = "23", number = "1", pages = "319--323", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230127", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hobza:1983:VWM, author = "P. Hobza and R. Zahradn{\'\i}k", title = "{Van der Waals} molecules: {Quantum} chemistry, physical properties, and reactivity", journal = j-IJQC, volume = "23", number = "1", pages = "325--338", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230128", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1983:ECa, author = "Pre-Olov L{\"o}wdin and John R. Sabin and Michael Zerner", title = "Editorial comments", journal = j-IJQC, volume = "23", number = "1", pages = "vii--vii", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1983:P, author = "Pre-Olov L{\"o}wdin and Jean-Louis Calais and Osvaldo Goscinski", title = "Preface", journal = j-IJQC, volume = "23", number = "1", pages = "v--v", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "23", number = "1", pages = "fmi--fmii", month = jan, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1983:TCH, author = "I. Mayer", title = "Towards a {``Chemical''} {Hamiltonian}", journal = j-IJQC, volume = "23", number = "2", pages = "341--363", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boucekkine-Yaker:1983:ICM, author = "G. Boucekkine-Yaker and A. Boucekkine and M. Zaucer and G. Berthier", title = "Ab initio calculation of magnetic susceptibilities and screening constants using gauge invariant {Gaussian} orbitals", journal = j-IJQC, volume = "23", number = "2", pages = "365--367", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Julg:1983:TNI, author = "A. Julg and P. Julg", title = "Towards a new interpretation of quantum mechanics?", journal = j-IJQC, volume = "23", number = "2", pages = "369--377", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grinberg:1983:SRH, author = "Horacio Grinberg and Julio Mara{\~n}on and Hector Vucetich", title = "Some remarks on the hydrogen atom", journal = j-IJQC, volume = "23", number = "2", pages = "379--385", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nakatsuji:1983:FST, author = "H. Nakatsuji and M. Hada and K. Kanda and T. Yonezawa", title = "Force in {SCF Theories}. {First} and second derivatives of the potential energy hypersurface of chemical reaction systems", journal = j-IJQC, volume = "23", number = "2", pages = "387--397", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guo:1983:AR, author = "Hong Guo and Au-Chin Tang", title = "Approach to {N} representability", journal = j-IJQC, volume = "23", number = "2", pages = "399--404", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{McWeeny:1983:SRM, author = "R. McWeeny", title = "Some remarks on multiconfiguration time-dependent {Hartree--Fock} theory", journal = j-IJQC, volume = "23", number = "2", pages = "405--416", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morales:1983:EPI, author = "J. Morales and A. Palma and E. Poulain", title = "{ESCA} {Peak} intensities in the dipole and generalized sudden approximations using {Fourier} transforms of {GTO}'s", journal = j-IJQC, volume = "23", number = "2", pages = "417--423", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{CorreaDeMello:1983:CCM, author = "Paulo {Corr{\^e}a De Mello} and W. Daniel Edwards and Michael C. Zerner", title = "{Cr} {Cr} multiple bonding in binuclear complexes", journal = j-IJQC, volume = "23", number = "2", pages = "425--436", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adams:1983:ESV, author = "George F. Adams and David R. Yarkony and Rodney J. Bartlett and George D. Purvis", title = "Electronic structure and vertical excitation spectrum of methylene amidogen {CH$_2$N}", journal = j-IJQC, volume = "23", number = "2", pages = "437--446", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mukherjee:1983:FFC, author = "Prasanta K. Mukherjee and Tsutomu Minato and Delano P. Chong", title = "Finite-field calculations of molecular polarizabilities using field-induced polarization functions. {II}. {Second}- and third-order perturbation correlation corrections to the coupled {Hartree--Fock} polarizability of {HF}", journal = j-IJQC, volume = "23", number = "2", pages = "447--457", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chermette:1983:IRC, author = "H. Chermette and P. Pertosa and A. Goursot and E. Penigault", title = "Incidence of the relativistic corrections in electronic properties of $5d$ compounds: {MS--X$_\alpha$} calculations on hexachloroiridates ({III} and {IV}) and tungsten trioxide", journal = j-IJQC, volume = "23", number = "2", pages = "459--464", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Combs:1983:SMS, author = "Leon L. Combs and Sten Lunell", title = "{SCF} and {MC--SCF} Study of {CO$_2$} with bond angle variation", journal = j-IJQC, volume = "23", number = "2", pages = "465--472", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fonseca:1983:STD, author = "Teresa Fonseca and J. A. N. F. Gomes and Paolo Grigolini", title = "Short-time description of chemical reaction by {Stochastic} methods", journal = j-IJQC, volume = "23", number = "2", pages = "473--476", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shinagawa:1983:MGB, author = "Yasuko Shinagawa and Seiji Koyama and Yoshiya Shinagawa", title = "Molecular geometry of benzosemiquinone radicals: {Radicals} from resorcinol and its derivatives", journal = j-IJQC, volume = "23", number = "2", pages = "477--481", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laskowski:1983:TDX, author = "Bernard C. Laskowski and Stephen R. Langhoff and Per E. M. Siegbahn", title = "Theoretical determination of the {X\,$^2\Sigma^+$} and {A\,$^2\Pi$} potentials of {CsO} using relativistic effective core potentials", journal = j-IJQC, volume = "23", number = "2", pages = "483--490", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Liu:1983:TSE, author = "Ruo-Zhuang Liu and Jian-Guo Yu", title = "Theoretical study of the effect of substituents on electrophilic addition to olefins: {Ab} initio {MO} approach with energy decomposition", journal = j-IJQC, volume = "23", number = "2", pages = "491--495", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230219", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Skala:1983:CCM, author = "L. Sk{\'a}la", title = "Calculation of the coherent memory functions from the eigenvalues and eigenvectors of the corresponding stationary {Schr{\"o}dinger} equation", journal = j-IJQC, volume = "23", number = "2", pages = "497--505", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230220", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smeyers:1983:PES, author = "Yves G. Smeyers and M. Nieves Bellido", title = "Potential energy surface determinations for nonrigid molecules: {Application} to acetone", journal = j-IJQC, volume = "23", number = "2", pages = "507--516", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230221", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonacic-Koutecky:1983:ACM, author = "V. Bona{\v{c}}i{\'c}-Kouteck{\'y} and M. Persico", title = "Avoided crossing of molecular excited states and photochemistry: {Butadiene} and unprotonated {Schiff} base", journal = j-IJQC, volume = "23", number = "2", pages = "517--533", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230222", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klessinger:1983:FMM, author = "Martin Klessinger", title = "The fragments-in-molecules method. {II}. {Fim} method for $\sigma$-bonded systems", journal = j-IJQC, volume = "23", number = "2", pages = "535--542", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230223", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lefebvre:1983:SBS, author = "R. Lefebvre", title = "Symmetry broken self-consistent field approximation for coupled oscillators", journal = j-IJQC, volume = "23", number = "2", pages = "543--550", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230224", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Micha:1983:STC, author = "David A. Micha", title = "Semiclassical time-correlation function approach to collisional energy transfer into many-atom systems", journal = j-IJQC, volume = "23", number = "2", pages = "551--560", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230225", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nicolaides:1983:PSC, author = "C. A. Nicolaides and A. N. Andriotis", title = "Photoelectron spectroscopy of chemisorbed atoms", journal = j-IJQC, volume = "23", number = "2", pages = "561--566", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230226", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Piacentini:1983:TFA, author = "R. D. Piacentini", title = "Translation factors in atomic collisions", journal = j-IJQC, volume = "23", number = "2", pages = "567--575", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230227", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1983:CHI, author = "Hans {\AA}gren", title = "Core hole induced charge-transfer reactions in disubstituted benzenes", journal = j-IJQC, volume = "23", number = "2", pages = "577--585", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230228", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bertran:1983:WCI, author = "J. Bertr{\'a}n and A. Lled{\'o}s and J. A. Revetllat", title = "Water chain intervention in hydrolytic and tautomeric reactions", journal = j-IJQC, volume = "23", number = "2", pages = "587--593", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230229", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bouman:1983:LSRa, author = "Thomas D. Bouman and Aage E. Hansen and Bj{\o}rn Voigt and Sten Rettrup", title = "Large-scale {RPA} calculations of chiroptical properties of organic molecules: {Program RPAC}", journal = j-IJQC, volume = "23", number = "2", pages = "595--611", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230230", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Burton:1983:RFC, author = "Peter G. Burton", title = "Routes to full {CI} through extrapolation in multireference configuration calculations for electronic structures", journal = j-IJQC, volume = "23", number = "2", pages = "613--623", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230231", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lee:1983:RCO, author = "Tieh-Sheng Lee and San-Yan Chu", title = "Reactivity comparison of one-electron and two-electron processes", journal = j-IJQC, volume = "23", number = "2", pages = "625--631", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230232", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fukui:1983:CNC, author = "H. Fukui", title = "Calculation of {NMR} chemical shifts. {III}. {Configuration} interaction effects", journal = j-IJQC, volume = "23", number = "2", pages = "633--637", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230233", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larson:1983:TDD, author = "Everett G. Larson", title = "Time-dependent density operator in the random impulse approximation: {I}. {Connections} with the ``generalized sudden approximation'' for photoionization and electron impact ionization; and {II}. {Relevance} to reduced density operators, particle--hole matrices, and propagators for the initial state", journal = j-IJQC, volume = "23", number = "2", pages = "639--652", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230234", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Peel:1983:ERE, author = "J. Barrie Peel", title = "Electrostatic and relaxation effects in ionization of molecular dimers and intermolecular complexes", journal = j-IJQC, volume = "23", number = "2", pages = "653--662", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230235", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Truax:1983:TDS, author = "D. Rodney Truax", title = "Time-dependent {Schr{\"o}dinger} equations: {Symmetry} breaking, separation of variables, and nonlinear effects", journal = j-IJQC, volume = "23", number = "2", pages = "663--678", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230236", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zivkovic:1983:HAS, author = "Tomislav P. {\v{Z}}ivkovi{\'c}", title = "Heats of atomization of some conjugated molecules containing nitrogen or oxygen by a novel semiempirical method", journal = j-IJQC, volume = "23", number = "2", pages = "679--686", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230237", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blomberg:1983:TAA, author = "Clas Blomberg", title = "Thermodynamic aspects on accuracy in the synthesis of biomolecules", journal = j-IJQC, volume = "23", number = "2", pages = "687--707", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230238", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chatterjee:1983:CBC, author = "R. Chatterjee and J. A. Tuszy{\'n}ski and R. Paul", title = "Comments on the {Bose} condensation of phonons in the biological systems", journal = j-IJQC, volume = "23", number = "2", pages = "709--712", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230239", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Knop:1983:CGI, author = "J. V. Knop and K. Szymanski and {\v{Z}}. Jeri{\v{c}}evi{\'c} and N. Trinajsti{\'c}", title = "Computer generation and identification of carcinogenic bay regions in benzenoid hydrocarbons", journal = j-IJQC, volume = "23", number = "2", pages = "713--722", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230240", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Naray-Szabo:1983:ULE, author = "G{\'a}bor N{\'a}ray-Szab{\'o}", title = "Unusually large electrostatic field effect of the buried aspartate in serine proteinases: {Source} of catalytic power", journal = j-IJQC, volume = "23", number = "2", pages = "723--728", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230241", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chojnacki:1983:IPB, author = "H. Chojnacki and A. Sawaryn", title = "Interaction of p-benzoquinone and mitomycin {C} with complementary base pairs", journal = j-IJQC, volume = "23", number = "2", pages = "729--738", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230242", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scheiner:1983:ISP, author = "Steve Scheiner and Ma{\l}gorzata M. Szcz{\k{e}}l{\'s}niak and Larry D. Bigham", title = "Ab initio study of proton transfers including effects of electron correlation", journal = j-IJQC, volume = "23", number = "2", pages = "739--751", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230243", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scheiner:1983:EER, author = "Steve Scheiner", title = "Energetics and electronic rearrangements of proton transfer in {(H$_3$NHOH$_2$)$^+$}", journal = j-IJQC, volume = "23", number = "2", pages = "753--764", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230244", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tvaroska:1983:TSC, author = "Igor Tvaro{\v{s}}ka and Tibor Ko{\v{z}}{\'a}r", title = "Theoretical studies on the conformation of saccharides. {V}. {Hydration} of the acetal segment in glycosides", journal = j-IJQC, volume = "23", number = "2", pages = "765--778", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230245", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1983:ECb, author = "Per-Olov L{\"o}wdin and John R. Sabin and Michael Zerner", title = "Editorial Comments", journal = j-IJQC, volume = "23", number = "2", pages = "vii--vii", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "23", number = "2", pages = "fmi--fmii", month = feb, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Demiralp:1983:EFO, author = "Metin Demiralp", title = "Exponential factor optimization in characteristic function method for electrically charged particles", journal = j-IJQC, volume = "23", number = "3", pages = "779--787", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Olsen:1983:EHL, author = "Jeppe Olsen and Danny L. Yeager", title = "Effective handling of a large configuration state function expansion for an {MCSCF} state and improved efficiency for two-electron integral transformations in {MCSCF}", journal = j-IJQC, volume = "23", number = "3", pages = "789--809", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harmalkar:1983:MSP, author = "Anjali Harmalkar and Alfredo M. Simas and Vedene H. {Smith, Jr.} and William M. Westgate", title = "Momentum space properties of atoms", journal = j-IJQC, volume = "23", number = "3", pages = "811--820", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hoinkis:1983:STI, author = "J. Hoinkis and R. Ahlrichs and H.-J. B{\"o}hm", title = "A simple treatment of intermolecular interactions: {Synthesis} of ab initio calculations and combination rules", journal = j-IJQC, volume = "23", number = "3", pages = "821--834", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Purvis:1983:CIP, author = "George D. {Purvis III} and Ron Shepard and Franklin B. Brown and Rodney J. Bartlett", title = "{C$_{2V}$} insertion pathway for {BeH$_2$}: a test problem for the coupled-cluster single and double excitation model", journal = j-IJQC, volume = "23", number = "3", pages = "835--845", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sokalski:1983:ISI, author = "W. A. Sokalski and S. Roszak and P. C. Hariharan and Joyce J. Kaufman", title = "Improved {SCF} interaction energy decomposition scheme corrected for basis set superposition effect", journal = j-IJQC, volume = "23", number = "3", pages = "847--854", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blomberg:1983:CCC, author = "M. Blomberg and U. Brandemark and L. Pettersson and P. Siegbahn", title = "Contracted {CI} calculations of models for catalytic reactions involving transition metals", journal = j-IJQC, volume = "23", number = "3", pages = "855--863", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rittby:1983:SVT, author = "Magnus Rittby and Nils Elander and Erkki Br{\"a}ndas", title = "Scattering in view of the {Titchmarsh--Weyl} theory", journal = j-IJQC, volume = "23", number = "3", pages = "865--874", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Langhoff:1983:UEC, author = "Stephen R. Langhoff and Richard L. Jaffe and Delano P. Chong", title = "Use of effective core potentials in perturbation corrections to the {Koopmans} theorem: {Vertical} ionization potentials of {Cl$_2$}, {ClN$_3$}, and {ClNCO}", journal = j-IJQC, volume = "23", number = "3", pages = "875--886", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jug:1983:SVD, author = "Karl Jug and P. C. Mishra", title = "Single versus double insertion in a simple intermolecular carbene reaction", journal = j-IJQC, volume = "23", number = "3", pages = "887--890", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maouche:1983:QSG, author = "Boubekeur Maouche and Jos{\'e} Gayoso", title = "Quantum study of the ground state of a series of unsaturated boron--nitrogen compounds by the {MNDO} method. {I}. {Geometries} and stabilities", journal = j-IJQC, volume = "23", number = "3", pages = "891--904", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{England:1983:OFTa, author = "Walter B. England", title = "Ordinary field-theoretic methods for self-consistent wave functions which describe bond formation and dissociation. {II}. {Commutative} coupling case", journal = j-IJQC, volume = "23", number = "3", pages = "905--914", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1983:HTS, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Hypervirial theorems for some simple quantum chemistry systems", journal = j-IJQC, volume = "23", number = "3", pages = "915--919", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Herman:1983:RAS, author = "Zelek S. Herman", title = "Recent advances in simple valence-bond theory and the theory of hybrid bond orbitals", journal = j-IJQC, volume = "23", number = "3", pages = "921--943", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Solmajer:1983:IMI, author = "T. {\v{S}}olmajer and M. Hodo{\v{s}}{\v{c}}ek and D. Had{\v{z}}i", title = "Ab initio {MO} investigation of the ethanolamine--formic acid complex", journal = j-IJQC, volume = "23", number = "3", pages = "945--952", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1983:CGF, author = "Herbert W. Jones", title = "Computer-generated formulas for some three-center molecular integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "23", number = "3", pages = "953--957", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jorgensen:1983:MHF, author = "Poul J{\o}rgensen and Peter Swanstr{\o}m and Danny L. Yeager and Jeppe Olsen", title = "Multiconfigurational {Hartree--Fock} response functions", journal = j-IJQC, volume = "23", number = "3", pages = "959--971", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kagawa:1983:GVM, author = "Takashi Kagawa", title = "General variation method for the relativistic calculations of atoms and molecules", journal = j-IJQC, volume = "23", number = "3", pages = "973--979", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230320", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kapuy:1983:AMB, author = "Ede Kapuy and Zolt{\'a}n Cs{\'e}pes and Cornelia Kozmutza", title = "Application of the many-body perturbation theory by using localized orbitals", journal = j-IJQC, volume = "23", number = "3", pages = "981--990", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230321", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Romano:1983:MCS, author = "S. Romano and B. J{\"o}nsson and G. Karlstr{\"o}m", title = "{Monte Carlo} simulations of solid nitrogen in the isothermal--isobaric ensemble with an ab initio {SCF--CI} potential", journal = j-IJQC, volume = "23", number = "3", pages = "991--998", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230322", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zhenyi:1983:AUG, author = "Wen Zhenyi", title = "Application of the unitary group approach to crystal field theory", journal = j-IJQC, volume = "23", number = "3", pages = "999--1009", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230323", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nascimento:1983:CBA, author = "Marco Antonio Chaer Nascimento", title = "Cumulative {B$_K$} approximation as a method to select configurations for {CI} calculations of transition energies", journal = j-IJQC, volume = "23", number = "3", pages = "1011--1016", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230324", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gaspar:1983:SPT, author = "R. G{\'a}sp{\'a}r", title = "Scaling in pseudopotential theory", journal = j-IJQC, volume = "23", number = "3", pages = "1017--1024", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230325", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pedrini:1983:ESL, author = "C. Pedrini and H. Chermette", title = "Electronic structure and luminescent properties of {Cu$^+$} and {Ag$^+$} impurity centers in {NaCl}", journal = j-IJQC, volume = "23", number = "3", pages = "1025--1032", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230326", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Engelmann:1983:TMS, author = "A. R. Engelmann and R. H. Contreras", title = "Transmission mechanisms of spin--spin coupling constants within the {CHF} approximation: {Their} study using inner projections of the polarization propagator", journal = j-IJQC, volume = "23", number = "3", pages = "1033--1045", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230327", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Elander:1983:AAW, author = "Nils Elander and Erland Sangfelt and Henry Kurtz and Osvaldo Goscinski", title = "Application of {AGP} wave functions to the ground states of {Li$_2$} and {CH$^+$}", journal = j-IJQC, volume = "23", number = "3", pages = "1047--1056", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230328", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Altmann:1983:SDC, author = "S. L. Altmann and A. Lapiccirella and K. W. Lodge", title = "Structure of dislocation cores in the silicon crystal", journal = j-IJQC, volume = "23", number = "3", pages = "1057--1063", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230329", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Andre:1983:ECB, author = "J. M. Andr{\'e} and J. L. Br{\'e}das and B. Th{\'e}mans and L. Piela", title = "Exchange, correlation, and band gaps in conjugated linear chains", journal = j-IJQC, volume = "23", number = "3", pages = "1065--1072", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230330", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ladik:1983:TAC, author = "J{\'a}nos J. Ladik", title = "Treatment of aperiodicity and correlation in polymers", journal = j-IJQC, volume = "23", number = "3", pages = "1073--1081", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230331", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lundqvist:1983:TSM, author = "B. I. Lundqvist and B. Hellsing and S. Holmstr{\"o}m and P. Nordlander and M. Persson and J. K. N{\o}rskov", title = "Theoretical studies of molecular adsorption on metal surfaces", journal = j-IJQC, volume = "23", number = "3", pages = "1083--1090", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230332", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Briels:1983:HIR, author = "W. J. Briels and J. Tennyson and M. Claessens and Th. {Van Der Lee} and A. {Van Der Avoird}", title = "Hindered internal rotations in {van der Waals} molecules and molecular crystals", journal = j-IJQC, volume = "23", number = "3", pages = "1091--1100", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230333", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tanaka:1983:ELF, author = "Kazuyoshi Tanaka and Masataka Nagaoka and Tokio Yamabe", title = "Electron localization in a finite one-dimensional chain", journal = j-IJQC, volume = "23", number = "3", pages = "1101--1109", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230334", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baldo:1983:ESL, author = "Marcello Baldo and Renato Pucci and Pasquale Tomasello", title = "Excited states of linear polyenes in the {SCF--RPA} method", journal = j-IJQC, volume = "23", number = "3", pages = "1111--1119", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230335", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1983:ECc, author = "Per-Olov L{\"o}wdin and John R. Sabin and Michael Zerner", title = "Editorial comments", journal = j-IJQC, volume = "23", number = "3", pages = "v--v", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "23", number = "3", pages = "fmi--fmii", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kocjan:1983:CMS, author = "D. Kocjan and T. {\v{S}}olmajer and M. Hodo{\v{s}}{\v{c}}ek and D. Had{\v{z}}i", title = "Conformational and {MO} studies of hydroxy-2-aminotetralins", journal = j-IJQC, volume = "23", number = "4", pages = "1121--1133", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hegarty:1983:IEA, author = "Dermot Hegarty and G. {Van Der Velde}", title = "Integral evaluation algorithms and their implementation", journal = j-IJQC, volume = "23", number = "4", pages = "1135--1153", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chao:1983:CHC, author = "K. A. Chao and K.-F. Berggren", title = "Clustered hydrogenic centers in impure semiconductors", journal = j-IJQC, volume = "23", number = "4", pages = "1155--1163", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Deak:1983:CSP, author = "P. De{\'a}k", title = "{CNDO \slash S} parameters of {C}, {O}, and {Si} for solid state calculations", journal = j-IJQC, volume = "23", number = "4", pages = "1165--1177", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fripiat:1983:ECL, author = "J. G. Fripiat and J. Dehalle and J. M. Andr{\'e}", title = "Electron correlation in linear hydrogen chains", journal = j-IJQC, volume = "23", number = "4", pages = "1179--1189", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lee:1983:SSS, author = "D. M. Lee", title = "Spectroscopy with sound on superfluid {$^3$He $B$}", journal = j-IJQC, volume = "23", number = "4", pages = "1191--1199", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Miyoshi:1983:ESS, author = "Eisaku Miyoshi and Hiroshi Tatewaki and Takashi Nakamura", title = "Electronic structure of small copper clusters", journal = j-IJQC, volume = "23", number = "4", pages = "1201--1207", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Friedel:1983:SCU, author = "J. Friedel and C. Noguera", title = "Some considerations on {U$_{eff}$} values entering the {Hubbard} {Hamiltonian}", journal = j-IJQC, volume = "23", number = "4", pages = "1209--1221", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Holzwarth:1983:EBS, author = "N. A. W. Holzwarth and D. P. Divincenzo and R. C. Tatar and S. Rabii", title = "Energy-band structure and charge distribution for {BaC$_6$}", journal = j-IJQC, volume = "23", number = "4", pages = "1223--1230", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paul:1983:CCH, author = "J. Paul and A. Ros{\'e}n", title = "Cluster calculations of the {H$_2$O\slash Pt(111)} system", journal = j-IJQC, volume = "23", number = "4", pages = "1231--1238", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Suhai:1983:PTI, author = "S{\'a}ndor Suhai", title = "Perturbation theoretical investigation of electron correlation effects in infinite metallic and semiconducting polymers", journal = j-IJQC, volume = "23", number = "4", pages = "1239--1256", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pudzianowski:1983:MSO, author = "Andrew T. Pudzianowski and Gilda H. Loew", title = "Mechanistic studies of oxene reactions with organic substrates: {Reaction} paths on {MNDO} enthalpy surfaces---models for cytochrome {P450} oxidations", journal = j-IJQC, volume = "23", number = "4", pages = "1257--1268", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lundstrom:1983:EGE, author = "Ingemar Lundstr{\"o}m and Claes Nylander", title = "Electrostatics and gating of excitable membranes", journal = j-IJQC, volume = "23", number = "4", pages = "1269--1282", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shibata:1983:CTT, author = "Masayuki Shibata and Thomas Kieber-Emmons and Robert Rein", title = "Comparison of theoretical and thermodynamic values of interconstituent interactions in {DNA}", journal = j-IJQC, volume = "23", number = "4", pages = "1283--1293", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kothekar:1983:PIP, author = "V. Kothekar and G. Bolis and Robert Rein", title = "Possible incorporation of the purine--purine mispairs in the {DNA} helix and the interpretation of the transversion-type point mutations", journal = j-IJQC, volume = "23", number = "4", pages = "1295--1303", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Le-min:1983:ISE, author = "Li Le-min and Ren Jing-Qing and Xu Guang-Xian (K. H. Hsu) and Wang Xiu-Zhen", title = "{INDO} {Studies} on the electronic structure of lanthanoid compounds", journal = j-IJQC, volume = "23", number = "4", pages = "1305--1316", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230419", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Neckel:1983:RIE, author = "A. Neckel", title = "Recent investigations on the electronic structure of the fourth and fifth group transition metal monocarbides, mononitrides, and monoxides", journal = j-IJQC, volume = "23", number = "4", pages = "1317--1353", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230420", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kauder:1983:GCT, author = "L. R. Kauder and A. K. Ray and S. B. Trickey", title = "Generator coordinate treatment of some model periodic systems", journal = j-IJQC, volume = "23", number = "4", pages = "1355--1361", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230421", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stafstrom:1983:ISI, author = "S. Stafstr{\"o}m and R. Riklund and K. A. Chao", title = "Interacting stereo-irregular chains: a model for conducting polymers", journal = j-IJQC, volume = "23", number = "4", pages = "1363--1383", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230422", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Davies:1983:LRS, author = "R. H. Davies and T. R. Morris", title = "$\beta$-Lactam ring stability and antibacterial potency: a novel eigenvalue problem", journal = j-IJQC, volume = "23", number = "4", pages = "1385--1405", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230423", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Edwards:1983:ESM, author = "W. Daniel Edwards and Michael C. Zerner", title = "Electronic structure of model chlorophyll systems", journal = j-IJQC, volume = "23", number = "4", pages = "1407--1432", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230424", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yadav:1983:CSL, author = "Janardan Singh Yadav and Peter Luger", title = "Conformational studies of the $\beta(1 \rightarrow 3)$ linked disaccharide component of the immunologically active pentasaccharide of the {Forssman} antigen", journal = j-IJQC, volume = "23", number = "4", pages = "1433--1439", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230425", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yadav:1983:QCS, author = "Janardan Singh Yadav", title = "Quantum chemical studies on the conformational structure of bacterial peptidoglycan. {V}. {PCILO Calculations} on $\beta(1 \rightarrow 4)$ linked disaccharide of {N}-acetyl-glucosamine and {N}-acetyl muramic acid", journal = j-IJQC, volume = "23", number = "4", pages = "1441--1450", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230426", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Corbin:1983:MEP, author = "Sylvie Corbin and Richard Lavery and Bernard Pullman", title = "Molecular electrotatic potential of a triple stranded helix: {Poly(dT)$\cdot$poly(dA)$\cdot$poly(dT)}", journal = j-IJQC, volume = "23", number = "4", pages = "1451--1461", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230427", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chaturvedi:1983:RWT, author = "Meena Chaturvedi and Vipin Srivastava", title = "Random-walk theory for localization", journal = j-IJQC, volume = "23", number = "4", pages = "1463--1468", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230428", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harris:1983:EGM, author = "Frank E. Harris", title = "Evaluation of {GTO} molecular integrals", journal = j-IJQC, volume = "23", number = "4", pages = "1469--1478", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230429", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Qianer:1983:SDO, author = "Zhang Qianer", title = "Symmetry determined orbital and group overlap", journal = j-IJQC, volume = "23", number = "4", pages = "1479--1492", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230430", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hariharan:1983:IMS, author = "P. C. Hariharan and Walter S. Koski and Joyce J. Kaufman and Richard S. Miller", title = "Ab initio {MODPOT} \slash {VRDDO} \slash {MERGE} calculations on energetic compounds. {III}. {Nitroexplosives}: {Polyaminopolynitrobenzenes} (including {DATB}, {TATB}, and tetryl)", journal = j-IJQC, volume = "23", number = "4", pages = "1493--1504", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230431", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chatzidimitriou-Dreismann:1983:ITF, author = "C. A. Chatzidimitriou-Dreismann", title = "Irreversibility, time, and fluctuations in quantum statistical theory of dissipative molecular systems. {II}. {Application} to fluorescence spectroscopy", journal = j-IJQC, volume = "23", number = "4", pages = "1505--1516", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230432", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gubanov:1983:CXA, author = "V. A. Gubanov and A. I. Liechtenstein and A. V. Postnikov", title = "Cluster {X$_\alpha$} approach to magnetic interactions and phase transitions in solids", journal = j-IJQC, volume = "23", number = "4", pages = "1517--1528", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230433", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Peshev:1983:PFD, author = "O. Peshev", title = "Photoreactions on finely divided semiconductors", journal = j-IJQC, volume = "23", number = "4", pages = "1529--1533", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230434", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blaha:1983:EDC, author = "Peter Blaha and Karlheinz Schwarz", title = "Electron densities and chemical bonding in {TiC}, {TiN}, and {TiO} derived from energy band calculations", journal = j-IJQC, volume = "23", number = "4", pages = "1535--1552", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230435", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Slanina:1983:SIA, author = "Zden{\v{e}}k Slanina", title = "Sequential isomerism of activated complexes: {Interfering} versus noninterfering intermediate", journal = j-IJQC, volume = "23", number = "4", pages = "1553--1561", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230436", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Slanina:1983:ACI, author = "Zden{\v{e}}k Slanina", title = "Adsorption-complex isomerism and quantum-chemical studies in heterogeneous catalysis", journal = j-IJQC, volume = "23", number = "4", pages = "1563--1570", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230437", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Winkler:1983:UVP, author = "Peter Winkler", title = "Use of {V$^{N - 1}$} potentials in {Green}'s function calculations", journal = j-IJQC, volume = "23", number = "4", pages = "1571--1577", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230438", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mishra:1983:TLS, author = "R. K. Mishra and K. Bhowmik", title = "Theory of living {State}. {VII}. {Bose--Einstein-like} ordering in temperature and time domain", journal = j-IJQC, volume = "23", number = "4", pages = "1579--1587", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230439", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Frohlich:1983:ECE, author = "H. Fr{\"o}hlich", title = "Evidence for coherent excitation in biological systems", journal = j-IJQC, volume = "23", number = "4", pages = "1589--1595", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230440", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Changying:1983:SAR, author = "Chen Changying and Li Lemin", title = "Structure--activity relationship and the mechanism of analgesia of the analgesic drug 3-methyl-fentanyl and its analogs", journal = j-IJQC, volume = "23", number = "4", pages = "1597--1608", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230441", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Liu:1983:MOS, author = "Ruo-Zhuang Liu and Shi-Jin Zheng and Jian-Guo Yu", title = "Molecular orbital study of the relationship between electronic structure and toxicity of silatranes", journal = j-IJQC, volume = "23", number = "4", pages = "1609--1610", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230442", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Novaro:1983:TBN, author = "O. Novaro", title = "Three-body nonadditive effects for hydrogen bonded water molecules: {SCF} study of hydrated species including {H$_2$S} and various metal ions", journal = j-IJQC, volume = "23", number = "4", pages = "1611--1625", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230443", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Martin:1983:QCSa, author = "M. Martin and F. Sanz and M. Campillo and L. Pardo and J. P{\'e}rez and J. Turmo", title = "Quantum chemical study of the molecular patterns of {MAO} inhibitors and substrates", journal = j-IJQC, volume = "23", number = "4", pages = "1627--1641", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230444", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Martin:1983:QCSb, author = "M. Martin and F. Sanz and M. Campillo and L. Pardo and J. Perez and J. Turmo and J. M. Aull{\'o}", title = "Quantum chemical structure--activity relationships on $\beta$-carbolines as natural monoamine oxidase inhibitors", journal = j-IJQC, volume = "23", number = "4", pages = "1643--1652", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230445", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taylor:1983:RSP, author = "William J. Taylor", title = "Rayleigh--Schr{\"o}dinger perturbation theory for many-electron systems with partitioning of configurations by orders of excitation", journal = j-IJQC, volume = "23", number = "4", pages = "1653--1665", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230446", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klasinc:1983:APS, author = "L. Klasinc and B. Ru{\v{s}}{\v{c}}i{\'c} and A. Sablji{\'c} and N. Trinajsti{\'c}", title = "Application of photoelectron spectroscopy to biologically active molecules and their constituent parts. {IX}. {1,4-Benzodiazepin-2-ones}", journal = j-IJQC, volume = "23", number = "4", pages = "1667--1676", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230447", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DeBrouckere:1983:OEP, author = "G. {De Brouck{\'e}re}", title = "One-electron properties at the {SCF} ab {Initio} level", journal = j-IJQC, volume = "23", number = "4", pages = "1677--1677", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230448", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Iachello:1983:AAM, author = "F. Iachello and R. D. Levine", title = "Algebraic approach to molecular rotation--vibration spectra", journal = j-IJQC, volume = "23", number = "4", pages = "1679--1681", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230449", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seybold:1983:TDO, author = "Paul G. Seybold", title = "Topological determinants in organic chemistry", journal = j-IJQC, volume = "23", number = "4", pages = "1683--1683", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230450", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hotokka:1983:REH, author = "M. Hotokka and L. Laaksonen and P. Pyykk{\"o} and A. Viste", title = "Relativistic extended {H{\"u}ckel} studies of cluster models of solid {HgTe}, {CdTe}, and {PbTe}: {Densities} of states and nuclear spin--spin coupling", journal = j-IJQC, volume = "23", number = "4", pages = "1685--1685", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230451", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Claverie:1983:IDE, author = "Pierre Claverie", title = "Induction and dispersion energies including charge overlap effects: {Green's-function-type} methods", journal = j-IJQC, volume = "23", number = "4", pages = "1687--1688", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230452", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bouman:1983:LSRb, author = "Thomas D. Bouman and Aage E. Hansen and Bj{\o}rn Voigt and Sten Rettrup", title = "Large-scale {RPA} calculations of chiroptical properties of organic molecules: {Program RPAC}", journal = j-IJQC, volume = "23", number = "4", pages = "1693--1693", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230453", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fischer-Hjalmars:1983:I, author = "Inga Fischer-Hjalmars", title = "Introduction", journal = j-IJQC, volume = "23", number = "4", pages = "ix--x", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1983:ECd, author = "Per-Olov L{\"o}wdin and John R. Sabin and Michael Zerner", title = "Editorial comments", journal = j-IJQC, volume = "23", number = "4", pages = "xi--xi", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "23", number = "4", pages = "fmi--fmii", month = apr, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sannigrahi:1983:CES, author = "A. B. Sannigrahi and D. C. Mukherjee and B. R. De", title = "Calculation of excited-state properties of some small molecules: {Comparative} study of the {CNDO/S} and {CNDO/2}- v$_{n -1}$ potential methods", journal = j-IJQC, volume = "23", number = "5", pages = "1695--1705", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1983:SSR, author = "Milan Randi{\'c}", title = "Survey of structural regularities in molecular properties. {I}. {Carbon}-13 chemical shifts in alkanes", journal = j-IJQC, volume = "23", number = "5", pages = "1707--1722", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chuljian:1983:CRS, author = "David T. Chuljian and Jack Simons", title = "Coordinate rotation studies of {H$^-$}, {He$^-$}, {Be$^-$}, {Mg$^-$} resonances: {Basis} set and configuration list dependence", journal = j-IJQC, volume = "23", number = "5", pages = "1723--1738", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Watanabe:1983:IMC, author = "Yoshitaka Watanabe and Hiroshi Kashiwagi", title = "Ab initio {MO Calculations} of benzene + {TCNE} and naphthalene + {TCNE} complexes with {STO-3G} $\pi$-split basis set", journal = j-IJQC, volume = "23", number = "5", pages = "1739--1752", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Miyoshi:1983:TSD, author = "Eisaku Miyoshi and Shigeru Obara and Toshikazu Takada and Hiroshi Kashiwagi and Kimio Ohno", title = "Theoretical study of degree of covalency in some {CoF$_6$}$(n-)$ complexes ($n = 4, 3$, and $2$)", journal = j-IJQC, volume = "23", number = "5", pages = "1753--1765", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katriel:1983:RES, author = "Jacob Katriel", title = "Reduction of the excited state into the ground state of a super-{Hamiltonian}", journal = j-IJQC, volume = "23", number = "5", pages = "1767--1780", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wilson:1983:AND, author = "S. Wilson and K. Janmkowski and J. Paldus", title = "Applicability of non-degenerate many-body perturbation theory to quasidegenerate electronic states: a model study", journal = j-IJQC, volume = "23", number = "5", pages = "1781--1802", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", xxnote = "Check name of second author??", } @Article{Habitz:1983:ECC, author = "P. Habitz and P. Bagus and P. Siegbahn and E. Clementi", title = "Electronic correlation contribution to the three-body potentials for water trimers", journal = j-IJQC, volume = "23", number = "5", pages = "1803--1806", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tillieu:1983:UALa, author = "Jacques Tillieu and Augustin {Van Groenedael}", title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$ {\'e}tats. {I}. {Quelques} cons{\'e}quences g{\'e}n{\'e}rales. ({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in the study of quantum systems of $n$ states. {I}. {Some} general consequences]", journal = j-IJQC, volume = "23", number = "5", pages = "1807--1816", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Tillieu:1983:UALb, author = "Jacques Tillieu and Augustin {Van Groenendael}", title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$ {\'e}tats. {II}. {Transformation} de l'espace des observables, probl{\`e}mes d'{\'e}volution. ({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in the study of quantum systems of $n$ states. {II}. {Transformation} of the space of observables, problems of evolution]", journal = j-IJQC, volume = "23", number = "5", pages = "1817--1827", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Seibert:1983:CGT, author = "J. Seibert and N. Trinajsti{\'c}a", title = "Chemical graph theory. {IV}. {On} the cyclic polynomial", journal = j-IJQC, volume = "23", number = "5", pages = "1829--1841", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gutowski:1983:IEE, author = "Maciej Gutowski and Ma{\l}gorzata K{\k{a}}lkol and Lucjan Piela", title = "Importance of exchange effects in the deformation of interacting ions", journal = j-IJQC, volume = "23", number = "5", pages = "1843--1853", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katriel:1983:SCI, author = "J. Katriel and R. Pauncz and J. J. C. Mulder", title = "Studies in the configuration interaction method. {II}. {Generating} functions and recurrence relations for the number of many-particle configurations", journal = j-IJQC, volume = "23", number = "5", pages = "1855--1867", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "23", number = "5", pages = "fmi--fmii", month = may, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Siegbahn:1983:ECC, author = "Per E. M. Siegbahn", title = "The externally contracted {CI} method applied to {N$_2$}", journal = j-IJQC, volume = "23", number = "6", pages = "1869--1889", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Konaka:1983:EFS, author = "Shigehiro Konaka", title = "Elastic forward scattering of high-energy electrons and molecular electron density", journal = j-IJQC, volume = "23", number = "6", pages = "1891--1901", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chong:1983:CCE, author = "Delano P. Chong and Tsutomu Minato and Prasanta K. Mukherjee", title = "Calculations of core-electron binding energies by transition operator method followed by {Rayleigh--Schr{\"o}dinger} perturbation theory", journal = j-IJQC, volume = "23", number = "6", pages = "1903--1914", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Becke:1983:HFE, author = "A. D. Becke", title = "{Hartree--Fock} exchange energy of an inhomogeneous electron gas", journal = j-IJQC, volume = "23", number = "6", pages = "1915--1922", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lee:1983:ACI, author = "Tieh-Sheng Lee and San-Yan Chu", title = "Avoided crossing and intermediate states in certain photochemical reactions", journal = j-IJQC, volume = "23", number = "6", pages = "1923--1930", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ulmer:1983:UTD, author = "W. Ulmer", title = "On a unified treatment of diffusion and kinetic processes", journal = j-IJQC, volume = "23", number = "6", pages = "1931--1944", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pan:1983:SNC, author = "Dao-Kai Pan and Ze-Fu Niu and Jian-Nan Gao and San-Lin Liu", title = "Some new concepts on the nature of the covalent bond based on ab initio quantum-chemical calculations", journal = j-IJQC, volume = "23", number = "6", pages = "1945--1958", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Segedy:1983:CCH, author = "John J. Segedy and Edward A. Burke", title = "Calculation of $ns^2$ configurations for the helium isoelectronic series without matching", journal = j-IJQC, volume = "23", number = "6", pages = "1959--1968", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gomez-Jeria:1983:SPQ, author = "J. S. Gomez-Jeria", title = "On some problems in quantum pharmacology {I}. {The} partition functions", journal = j-IJQC, volume = "23", number = "6", pages = "1969--1972", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vinszky:1983:GEC, author = "P. Csa Vinszky and F. Vosman", title = "Gradient expansion correction to the {Dirac} exchange term in statistical models for the {Na} atom with shell structure", journal = j-IJQC, volume = "23", number = "6", pages = "1973--1978", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Deng:1983:MHF, author = "Conghao Deng", title = "The modified {Hartree--Fock} self-consistent field equation", journal = j-IJQC, volume = "23", number = "6", pages = "1979--1987", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "23", number = "6", pages = "fmi--fmii", month = jun, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560230601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Novosadov:1983:HLA, author = "Boris K. Novosadov", title = "Hydrogen-like atomic orbitals: {Addition} and expansion theorems, integrals", journal = j-IJQC, volume = "24", number = "1", pages = "1--18", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adamowicz:1983:MBS, author = "Ludwik Adamowicz and E. A. {McCullough, Jr.}", title = "Molecular basis set generation: {Accurate} {Slater} basis sets for {LiH$^-$} ground and excited state and {Li$_2^-$} ground state", journal = j-IJQC, volume = "24", number = "1", pages = "19--23", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Olsen:1983:SHO, author = "Jeppe Olsen and Poul J{\o}rgensen and Danny L. Yeager", title = "Second- and higher-order convergence in linear and nonlinear multiconfigurational {Hartree--Fock} theory", journal = j-IJQC, volume = "24", number = "1", pages = "25--60", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1983:LBW, author = "P. Csavinszky and F. Vosman", title = "Lower bounds to the {Weizs{\"a}cker} correction in statistical models for the {Na} atom with shell structure", journal = j-IJQC, volume = "24", number = "1", pages = "61--64", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poshusta:1983:NSP, author = "R. D. Poshusta", title = "Nonadiabatic {Singer} polymal wave functions for three-particle systems", journal = j-IJQC, volume = "24", number = "1", pages = "65--77", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", keywords = "exponential quadratic function (polymals)", onlinedate = "19 Oct 2004", } @Article{Kummel:1983:EVD, author = "H. G. K{\"u}mmel", title = "Expectation values and density matrices in the {Coupled-Cluster} theory", journal = j-IJQC, volume = "24", number = "1", pages = "79--84", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Miyoshi:1983:TSE, author = "Eisaku Miyoshi and Hiroshi Kashiwagi", title = "Theoretical study of equilibrium {Co F} bond distance of {CoF$_6^{n-}$} complexes ($n = 4, 3$, and $2$) in crystals", journal = j-IJQC, volume = "24", number = "1", pages = "85--96", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hron:1983:SAG, author = "M. Hron and M. Razavy", title = "Some applications of the {Gel'fand--Levitan} inverse method in atomic and molecular physics", journal = j-IJQC, volume = "24", number = "1", pages = "97--111", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goldberg:1983:QMC, author = "M. J. Goldberg and L. J. Massa", title = "Quantum model of coherent {X}-ray diffraction: {Extension} to {Bloch} orbitals", journal = j-IJQC, volume = "24", number = "1", pages = "113--126", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leubner:1983:CFA, author = "C. Leubner", title = "The canonical function approach and diatomic molecules", journal = j-IJQC, volume = "24", number = "1", pages = "127--130", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lipinski:1983:ASW, author = "J{\'o}zef Lipi{\'n}ski", title = "On the artificial structure of the water dimer in the {CNDO\slash 2} method", journal = j-IJQC, volume = "24", number = "1", pages = "131--133", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pickup:1983:BRBa, author = "Barry T. Pickup", title = "Book Review: {{\booktitle{Quantum chemistry literature data base bibliography of ab initio calculations for 1978--80}}. By K. Ohno and K. Morokuma, Elsevier, New York, 1982. Vol. 12 in Physical Sciences Data. Price: \$104.75}", journal = j-IJQC, volume = "24", number = "1", pages = "135--135", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Ohno:1982:QCLa,Ohno:1982:QCLb,Ohno:1982:QCLc,Ohno:1983:QCL,Ohno:1984:QCL,Ohno:1985:QCL,Ohno:1986:QCL,Ohno:1989:QCL}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Siegbahn:1983:BRB, author = "Per Siegbahn", title = "Book Review: {{\booktitle{Polyatomic molecules: Results of ab initio calculations}}. By Robert S. Mulliken and Walter C. Ermler, Academic Press, New York, 1981. Price: \$49.00}", journal = j-IJQC, volume = "24", number = "1", pages = "135--135", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Mulliken:1981:PMR}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pickup:1983:BRBb, author = "Barry T. Pickup", title = "Book Review: {{\booktitle{Electrons and valence: Development of the theory, 1900--25}}. By Anthony N. Stranges, Texas A\&M University Press, College Station, 1982. Price: \$28.50}", journal = j-IJQC, volume = "24", number = "1", pages = "136--136", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Stranges:1982:EVD}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:A, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "24", number = "1", pages = "137--137", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "1", pages = "fmi--fmii", month = jul, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hubac:1983:PTO, author = "Ivan Huba{\v{c}} and Petr {\v{C}}{\'a}rsky", title = "Perturbation theory for open-shell systems: {Simulation} of the {UHF} states by means of the perturbed {RHF} wave functions", journal = j-IJQC, volume = "24", number = "2", pages = "141--148", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Starodub:1983:EPC, author = "V. A. Starodub and T. B. Drushlyak and L. A. Sleta", title = "Electron--phonon coupling detection in infrared spectra of ion--radical salts based on dibenztetrathiofulvalen", journal = j-IJQC, volume = "24", number = "2", pages = "149--159", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balint:1983:CEM, author = "I. B{\'a}lint and M. I. B{\'a}n", title = "Comments on energy minimization in subspaces of coordinates and on ``chemical hysteresis''", journal = j-IJQC, volume = "24", number = "2", pages = "161--167", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Arteca:1983:DSA, author = "Gustavo A. Arteca and Sergio A. Maluendes and Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Discussion of several analytical approximate expressions for the eigenvalues of the bounded harmonic oscillator and hydrogen atom", journal = j-IJQC, volume = "24", number = "2", pages = "169--184", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bohm:1983:SBH, author = "Michael C. B{\"o}hm", title = "Symmetry breaking in the {Hartree--Fock} approximation for binuclear transition metal compounds---a theoretical investigation based on a variable model operator", journal = j-IJQC, volume = "24", number = "2", pages = "185--237", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Froelich:1983:BRB, author = "Piotr Froelich", title = "Book Review: {{\booktitle{Electronic states of molecular and atom clusters}}. By Giuseppe Del Re, Gaston Berthier, and Josiane Serre. Lecture Notes In Chemistry No. 13, Springer Verlag, Berlin, 1980. ISBN 3-540-09738-4. 177 pages}", journal = j-IJQC, volume = "24", number = "2", pages = "239--239", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{DelRe:1980:ESM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:E, author = "Anonymous", title = "Erratum", journal = j-IJQC, volume = "24", number = "2", pages = "241--241", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "2", pages = "fmi--fmii", month = aug, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lieb:1983:DFC, author = "Elliott H. Lieb", title = "Density functionals for {Coulomb} systems", journal = j-IJQC, volume = "24", number = "3", pages = "243--277", month = sep, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panin:1983:MRC, author = "A. I. Panin", title = "Method of recurrent construction of {L{\"o}wdin} spin-adapted wave functions. {III}. {L{\"o}wdin} basis and its permutation symmetry: {Evaluation} of overlap integrals", journal = j-IJQC, volume = "24", number = "3", pages = "279--306", month = sep, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonaccorsi:1983:UMP, author = "R. Bonaccorsi and P. Palla and R. Cimiraglia and J. Tomasi", title = "On the use of a {MO} polarized basis for the analysis of the interaction energy in molecular interactions: {Application} to amine complexes", journal = j-IJQC, volume = "24", number = "3", pages = "307--316", month = sep, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tang:1983:ISH, author = "Ting-Hua Tang and Xiao-Yuan Fu", title = "Ab initio studies of hydrogen bond formation in methyl cyanide or methyl isocyanide and methanol systems", journal = j-IJQC, volume = "24", number = "3", pages = "317--325", month = sep, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gustav:1983:VCE, author = "Klaus Gustav and Roland Colditz", title = "Vibronic coupling of electronic states. {III}. {The} definitive breakdown of the {CBO} potential picture within the framework of our model", journal = j-IJQC, volume = "24", number = "3", pages = "327--332", month = sep, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Swenson:1983:LEC, author = "Robert J. Swenson", title = "Letter to the {Editor}: {Constraints} on boundary conditions for enclosed systems due to real energy eigenvalues", journal = j-IJQC, volume = "24", number = "3", pages = "333--334", month = sep, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "3", pages = "fmi--fmii", month = sep, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kvasnicka:1983:QCC, author = "Vladim{\'\i}r Kvasni{\v{c}}ka", title = "Quasidegenerate coupled-cluster approach with {Hermitian} model {Hamiltonian}", journal = j-IJQC, volume = "24", number = "4", pages = "335--344", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tanner:1983:DCC, author = "A. C. Tanner and Ajit J. Thakkar", title = "Discrete and continuum contributions to multipole polarizabilities and shielding factors of hydrogen", journal = j-IJQC, volume = "24", number = "4", pages = "345--352", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lavery:1983:EPP, author = "R. Lavery and A. Pullman and Y. K. Wen", title = "On the electrostatic properties of papain in relation to its enzymatic activity", journal = j-IJQC, volume = "24", number = "4", pages = "353--371", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paldus:1983:BLAa, author = "J. Paldus and E. Chin", title = "Bond length alternation in cyclic polyenes. {I}. {Restricted Hartree--Fock} method", journal = j-IJQC, volume = "24", number = "4", pages = "373--394", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paldus:1983:BLAb, author = "J. Paldus and E. Chin and M. G. Grey", title = "Bond length alternation in cyclic polyenes. {II}. {Unrestricted Hartree--Fock} method", journal = j-IJQC, volume = "24", number = "4", pages = "395--409", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pauncz:1983:BLA, author = "R. Pauncz and J. Paldus", title = "Bond length alternation in cyclic polyenes. {III}. {Alternant} molecular orbital method", journal = j-IJQC, volume = "24", number = "4", pages = "411--423", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Meghezzi:1983:PAF, author = "H. Meghezzi and A. Boucekkine and B. Kolli and M. Hamdi", title = "Protonation of aminopyrone: a four centers problem, {CNDO/2} versus {MNDO} study", journal = j-IJQC, volume = "24", number = "4", pages = "425--428", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "4", pages = "fmi--fmii", month = oct, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anisimov:1983:ESP, author = "F. Anisimov and R. Dagys and A. Sargautis", title = "The electronic structure and properties of nonmetallic rare earth monochalcogenides", journal = j-IJQC, volume = "24", number = "5", pages = "429--433", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1983:URW, author = "Milan Randic and Wayne L. Woodworth and Ante Graovac", title = "Unusual random walks", journal = j-IJQC, volume = "24", number = "5", pages = "435--452", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karadakov:1983:SPC, author = "Peter Karadakov and Obis Casta{\~n}o", title = "Stability properties of closed-shell restricted {Hartree--Fock} solutions for electronic systems in the framework of the projected {Hartree--Fock} method and their utilization", journal = j-IJQC, volume = "24", number = "5", pages = "453--477", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krechl:1983:SMS, author = "Ji{\v{r}}{\'\i} Krechl and Josef Kuthan", title = "Semiempirical {MO} study of pyruvate substrate behavior in the active center of lactate dehydrogenase", journal = j-IJQC, volume = "24", number = "5", pages = "479--489", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gresh:1983:TSI, author = "Nohad Gresh and Bernard Pullman", title = "Theoretical study of the interaction of tetramethylammonium with double-stranded oligonucleotides", journal = j-IJQC, volume = "24", number = "5", pages = "491--507", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zhixing:1983:VNR, author = "Chen Zhixing and Hong Ruiyu and Zhang Yala", title = "Violations of the noncrossing rule due to special symmetry and alternance", journal = j-IJQC, volume = "24", number = "5", pages = "509--519", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cizek:1983:CFS, author = "J. {\v{C}}{\'\i}{\v{z}}ek and E. R. Vrscay", title = "Continued fractions for the {Stirling} expansion revisited", journal = j-IJQC, volume = "24", number = "5", pages = "521--522", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "5", pages = "fmi--fmii", month = nov, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1983:MGI, author = "Paul G. Mezey", title = "A molecular geometry invariant property of energy level set boundaries in $z$ space", journal = j-IJQC, volume = "24", number = "6", pages = "523--526", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Simas:1983:BSQ, author = "Alfredo M. Simas and Ajit J. Thakkar and Vedene H. {Smith, Jr.}", title = "Basis set quality. {II}. {Information} theoretic appraisal of various $s$-orbitals", journal = j-IJQC, volume = "24", number = "6", pages = "527--550", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schmidt:1983:CPP, author = "H. M. Schmidt", title = "On the concept of {``Partitions''} in the perturbation theory of $n$-electron systems", journal = j-IJQC, volume = "24", number = "6", pages = "551--570", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Basil:1983:OKS, author = "Sherif El-Basil and A. N. Osman", title = "Ordering of {Kekul{\'e}} structures using nonadjacent numbers", journal = j-IJQC, volume = "24", number = "6", pages = "571--592", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brown:1983:SCS, author = "Richard E. Brown and Johannes Pieter Colpa", title = "{SCF} and {CI Studies} of {Hund}'s rules for the effects of electronic correlation and delocalization. {I}", journal = j-IJQC, volume = "24", number = "6", pages = "593--602", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Takahashi:1983:PBT, author = "Mitsuo Takahashi and Hideo Fukutome", title = "Projected {BCS Tamm-Dancoff} method for molecular electronic structures", journal = j-IJQC, volume = "24", number = "6", pages = "603--621", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Iwai:1983:ECE, author = "Masahiro Iwai and A. Saika", title = "Electron correlation effects on magnetic properties of {BH}", journal = j-IJQC, volume = "24", number = "6", pages = "623--626", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Romelt:1983:HRB, author = "Joachim R{\"o}melt", title = "A {Hermitean} reformulation of the {Born--Oppenheimer} nonadiabatic coupling terms for diatomic molecules", journal = j-IJQC, volume = "24", number = "6", pages = "627--631", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1983:CSI, author = "Kazuhiro Ishida", title = "Calculation in $k$ space of integrals arising in the theory of {van der Waals} forces. {II}. {Formulas} for arbitrary atoms", journal = j-IJQC, volume = "24", number = "6", pages = "633--649", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zeiss:1983:SDF, author = "G. D. Zeiss and M. A. Whitehead", title = "Shaping the density to fit one-electron properties: {Constrained RHF} calculations on {N$_2$}, {FH}, {CO}, and {LiH}", journal = j-IJQC, volume = "24", number = "6", pages = "651--685", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bridet:1983:ICH, author = "Jacques Bridet and S{\'a}ndor Flisz{\'a}r and Simone Odiot and Robert Pick", title = "Ab initio calculation of the heptamer {(NH$_3$)$_7$} as a reasonable starting point for a description of the ammonia crystal", journal = j-IJQC, volume = "24", number = "6", pages = "687--695", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Prat:1983:PIA, author = "R. F. Prat", title = "A possible interpretation of atomic valency as a spontaneously broken symmetry response", journal = j-IJQC, volume = "24", number = "6", pages = "697--706", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Takahashi:1983:PTE, author = "M. Takahashi and J. Paldus and J. {\v{C}}{\'\i}{\v{z}}ek", title = "Perturbation theory and electron correlation in extended systems: {Cyclic} polyene model", journal = j-IJQC, volume = "24", number = "6", pages = "707--727", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1983:SCE, author = "Per-Olov L{\"o}wdin", title = "On the {Sanibel} coefficients in the expansion of spin-projected {Slater} determinants", journal = j-IJQC, volume = "24", number = "6", pages = "729--745", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dick:1983:ABP, author = "Bernhard Dick and Hans-Joachim Freund", title = "Analysis of bonding properties in molecular ground and excited states by a {Cohen}-type bond order", journal = j-IJQC, volume = "24", number = "6", pages = "747--765", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gaspar:1983:IMF, author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar", title = "Ab initio molecular fragment calculations with pseudopotentials: {Model} peptide studies", journal = j-IJQC, volume = "24", number = "6", pages = "767--771", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1983:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "6", pages = "fmi--fmii", month = dec, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rao:1983:CMEa, author = "Gita Subba Rao and R. S. Tyagi and R. K. Mishra", title = "Calculation of the minimum energy conformations of {Di-}, {Tri-}, and tetrapeptides of glycine using a global optimization technique", journal = j-IJQC, volume = "24", number = "S10", pages = "1--4", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Rao:1983:CMEb, author = "Gita Subba Rao and Sudha Mahajan and R. K. Mishra", title = "Calculation of the minimum energy conformation of biomolecules using a global optimization technique. {IV}. {Preferred} conformations and receptor maps of histamine", journal = j-IJQC, volume = "24", number = "S10", pages = "5--9", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Vercauteren:1983:PSB, author = "D. P. Vercauteren and E. Clementi", title = "Photoionization spectra of {B-DNA} and {Z-DNA}", journal = j-IJQC, volume = "24", number = "S10", pages = "11--30", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Clementi:1983:MCS, author = "E. Clementi and G. Corongiu", title = "{Monte Carlo} study of liquid water with two- and three-body ab initio potentials", journal = j-IJQC, volume = "24", number = "S10", pages = "31--41", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cheney:1983:ECF, author = "B. Vernon Cheney and Dominic A. Zichi and Andrea B. Miller", title = "Electronic and conformational features of a series of {N}-protonated benzomorphan molecules: {N}-substituent effects on relative binding at the agonist and antagonist states of the opioid receptor", journal = j-IJQC, volume = "24", number = "S10", pages = "43--59", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pack:1983:DDE, author = "George R. Pack", title = "Determination of the distribution and electric fields of monovalent and divalent ions about {DNA}", journal = j-IJQC, volume = "24", number = "S10", pages = "61--71", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ladik:1983:SNR, author = "J. Ladik and P. Otto and W. F{\"o}rner", title = "Some new results in the quantum mechanical investigation of {DNA}", journal = j-IJQC, volume = "24", number = "S10", pages = "73--80", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Urry:1983:LEM, author = "Dan W. Urry and Cherayathumadom M. Venkatachalam", title = "A librational entropy mechanism for elastomers with repeating peptide sequences in helical array", journal = j-IJQC, volume = "24", number = "S10", pages = "81--93", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Seybold:1983:TICa, author = "Paul G. Seybold", title = "Topological influences on the carcinogenicity of aromatic hydrocarbons. {I}. {The} bay region geometry", journal = j-IJQC, volume = "24", number = "S10", pages = "95--101", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Seybold:1983:TICb, author = "Paul G. Seybold", title = "Topological influences on the carcinogenicity of aromatic hydrocarbons. {II}. {Substituent} effects", journal = j-IJQC, volume = "24", number = "S10", pages = "103--108", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Vasilescu:1983:CAA, author = "D. Vasilescu and D. Cabrol and H. Broch", title = "Conformons in amino acid sequences typical of collagen: {A} quantum mechanical study", journal = j-IJQC, volume = "24", number = "S10", pages = "109--122", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gascoyne:1983:SET, author = "Peter R. C. Gascoyne and Martyn C. R. Symons and Jane A. Mclaughlin", title = "Spontaneous electron transfer in the reaction between methylgiyoxal and methylamine", journal = j-IJQC, volume = "24", number = "S10", pages = "123--132", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bone:1983:CMS, author = "Stephen Bone and Ronald Pethig", title = "Cyclodextrins as model systems for the study of proton transport", journal = j-IJQC, volume = "24", number = "S10", pages = "133--141", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cross:1983:MSI, author = "Thomas E. Cross and Ronald Pethig", title = "Microwave studies of the interaction of {DNA} and water in the temperature range {90--300K}", journal = j-IJQC, volume = "24", number = "S10", pages = "143--152", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mezey:1983:ACA, author = "Paul G. Mezey", title = "An approach to conformation analysis on multidimensional potential surfaces", journal = j-IJQC, volume = "24", number = "S10", pages = "153--160", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pohl:1983:CSR, author = "Herbert A. Pohl", title = "Cellular spin resonance: {A} new method for determining the dielectric properties of living cells", journal = j-IJQC, volume = "24", number = "S10", pages = "161--174", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sapse:1983:TCP, author = "Anne-Marie Sapse and Grace Snyder", title = "Theoretical calculations of properties of some nitrosoureas", journal = j-IJQC, volume = "24", number = "S10", pages = "175--179", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Levitt:1983:NMP, author = "Michael Levitt and Christian Sander and Peter S. Stern", title = "The normal modes of a protein: {Native} bovine pancreatic trypsin inhibitor", journal = j-IJQC, volume = "24", number = "S10", pages = "181--199", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Loew:1983:MSA, author = "Gilda H. Loew and Michael T. Poulsen and Dale Spangler and Elizabeth Kirkjian", title = "Mechanistic structure--activity studies of carcinogenic dialkylnitrosamines", journal = j-IJQC, volume = "24", number = "S10", pages = "201--213", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gresh:1983:TSM, author = "Nohad Gresh and Alberte Pullman", title = "Theoretical study of the $2 \colon 1$ {Mg$^{2+}$} and {Ca$^{2+}$} complexes of ionophore {A23187}", journal = j-IJQC, volume = "24", number = "S10", pages = "215--229", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Scanlan:1983:PBL, author = "M. J. Scanlan and I. H. Hillier and E. E. Hodgkin and R. P. Sidebotham and C. M. Warwick and R. H. Davies", title = "Prediction of bond length variation in classical $\beta$-lactam structures and enzymatic ring instability", journal = j-IJQC, volume = "24", number = "S10", pages = "231--249", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Phadke:1983:EDD, author = "Ratna S. Phadke and H. M. Sonawat and Girjesh Govil", title = "Electron delocalization during the oxidation-reduction cycle of {FAD} and {NAD}: {A} quantum chemical approach to the design of coenzyme-immobilized bioanode for biochemical fuel cells", journal = j-IJQC, volume = "24", number = "S10", pages = "251--262", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cook:1983:ERA, author = "Charles M. Cook and Richard H. Lee and Leland C. Allen", title = "Electronic roles of active site residues in the catalysis and inhibition of carbonic anhydrase", journal = j-IJQC, volume = "24", number = "S10", pages = "263--276", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Corongiu:1983:HAD, author = "Giorgina Corongiu and Sandro L. Fornili and Enrico Clementi", title = "Hydration of agarose double helix: {A} {Monte Carlo} simulation", journal = j-IJQC, volume = "24", number = "S10", pages = "277--291", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mazurek:1983:TSA, author = "Aleksander P. Mazurek and Sid Topiol and Harel Weinstein and Roman Osman", title = "Theoretical studies on the activation mechanism of the histamine {H$_2$}-receptor: {The} guanidine substitution and its role in the partial agonism of {N}(alpha)-guanylhistamine", journal = j-IJQC, volume = "24", number = "S10", pages = "293--300", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sundaralingam:1983:WDP, author = "M. Sundaralingam and S. T. Rao", title = "Why is {DNA} polymorphic while {RNA} is not?", journal = j-IJQC, volume = "24", number = "S10", pages = "301--308", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Weinstein:1983:MDR, author = "Harel Weinstein and Saul Maayani and Barak Pazhenchevsky and Carol Venanzi and Roman Osman", title = "Molecular determinants for recognition of phencyclidine derivatives at muscarinic cholinergic receptors", journal = j-IJQC, volume = "24", number = "S10", pages = "309--320", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sokalski:1983:CAF, author = "W. A. Sokalski and A. Sawaryn and H. Chojnacki", title = "Catalytic activity of the first solvation shell in the {CO$_2$} hydration reaction", journal = j-IJQC, volume = "24", number = "S10", pages = "321--329", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Georgian:1983:HFC, author = "T. Georgian and G. L. Findley", title = "{Hamiltonian} formulations of chemical kinetics", journal = j-IJQC, volume = "24", number = "S10", pages = "331--338", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kluge:1983:PSH, author = "G. Kluge and G. Kania and F. Achenbach and E. Lippmann and I. Novak and L. Klasinc", title = "Photoelectron spectroscopy of heterocycles: {Ortho}-disubstituted quinoxalines", journal = j-IJQC, volume = "24", number = "S10", pages = "339--347", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Prakash:1983:SAI, author = "A. S. Prakash and I. S. Zegar and M. Shahbaz and P. R. Lebreton", title = "Stereoelectronic aspects of the intercalative binding of benz[a]anthracene metabolite models to {DNA}", journal = j-IJQC, volume = "24", number = "S10", pages = "349--356", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Thomson:1983:TIS, author = "Colin Thomson and Richard Brandt", title = "Theoretical investigations of the structure of potential inhibitors of the enzyme glyoxalase-{I}", journal = j-IJQC, volume = "24", number = "S10", pages = "357--373", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kaufman:1983:PTP, author = "Joyce J. Kaufman and Walter S. Koski and P. C. Hariharan and Jack Crawford and David M. Garmer and Louis Chan-Lizardo", title = "Prediction of toxicology and pharmacology based on model toxicophores and pharmacophores using the new {TOX-MATCH--PHARM-MATCH} program", journal = j-IJQC, volume = "24", number = "S10", pages = "375--415", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1983:I, author = "Per-Olov L{\"o}wdin and Michael Zerner", title = "Introduction", journal = j-IJQC, volume = "24", number = "S10", pages = "vii--vii", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1983:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "S10", pages = "i--i", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Wijkman:1983:OR, author = "Gunnar Wijkman", title = "Opening remarks", journal = j-IJQC, volume = "24", number = "S10", pages = "IX--X", day = "14--16", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Micha:1983:IP, author = "David A. Micha and Per-Olov L{\"o}wdin", title = "Introduction, {Part I}", journal = j-IJQC, volume = "24", number = "S17", pages = "1--1", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Wijkman:1983:OA, author = "Gunnar Wijkman", title = "Opening address", journal = j-IJQC, volume = "24", number = "S17", pages = "3--4", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bates:1983:SR, author = "David R. Bates", title = "Scientific reminiscences", journal = j-IJQC, volume = "24", number = "S17", pages = "5--32", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Mccarroll:1983:MME, author = "R. Mccarroll", title = "The molecular model of electronic transitions in atom--atom collisions: {Successes} and shortcomings", journal = j-IJQC, volume = "24", number = "S17", pages = "33--35", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Delos:1983:QTS, author = "J. B. Delos", title = "Quantum theory of slow atomic collisions", journal = j-IJQC, volume = "24", number = "S17", pages = "37--48", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Olson:1983:ICC, author = "R. E. Olson", title = "Ionic--covalent collision interactions", journal = j-IJQC, volume = "24", number = "S17", pages = "49--64", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Hickman:1983:CPI, author = "Albert P. Hickman", title = "Collisional phenomena involving {Rydberg} atoms", journal = j-IJQC, volume = "24", number = "S17", pages = "65--76", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Truhlar:1983:RPA, author = "Donald G. Truhlar", title = "Recent progress in atomic and molecular collisions and the interface with electronic structure theory", journal = j-IJQC, volume = "24", number = "S17", pages = "77--87", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{McKoy:1983:DMP, author = "Vincent McKoy and Diane Lynch and Robert R. Lucchese", title = "Dynamics of molecular photoionization processes", journal = j-IJQC, volume = "24", number = "S17", pages = "89--100", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bloor:1983:OSC, author = "J. E. Bloor", title = "Overlapping spheres continuum multiple-scattering {X$\alpha$} calculations of elastic cross sections in electron-molecule scattering", journal = j-IJQC, volume = "24", number = "S17", pages = "101--112", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Brandas:1983:RDC, author = "Erkki Br{\"a}ndas and Piotr Froelich", title = "Rigorous determination of cross sections via complex transformations", journal = j-IJQC, volume = "24", number = "S17", pages = "113--116", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Rittby:1983:CRT, author = "Magnus Rittby and Nils Elander and Erkki Br{\"a}ndas", title = "Complex rotated {Titchmarsh--Weyl} theory: {A} review and some recent results", journal = j-IJQC, volume = "24", number = "S17", pages = "117--126", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Green:1983:RHO, author = "A. E. S. Green and P. F. Schippnick and D. E. Rio", title = "Reactive hydrogen--oxygen collisions in combustion and radiolysis", journal = j-IJQC, volume = "24", number = "S17", pages = "127--136", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Mezey:1983:DMM, author = "Paul G. Mezey", title = "The differentiable manifold model of quantum-chemical reaction networks", journal = j-IJQC, volume = "24", number = "S17", pages = "137--152", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Micha:1983:VDS, author = "David A. Micha", title = "Variational determination of self-consistent interactions in atomic collisions", journal = j-IJQC, volume = "24", number = "S17", pages = "153--161", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Staszewska:1983:OME, author = "Grazyna Staszewska and David W. Schwenke and Donald G. Truhlar", title = "Optical model for electron scattering by {Ar} at {30--3000eV}: {Test} of the adiabatic model for charge polarization and a quasi-free scattering model for inelastic effects", journal = j-IJQC, volume = "24", number = "S17", pages = "163--176", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Yamashita:1983:IRC, author = "Koichi Yamashita and Tokio Yamabe", title = "The intrinsic reaction coordinate approach in polyatomic reaction dynamics", journal = j-IJQC, volume = "24", number = "S17", pages = "177--189", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Norcross:1983:REM, author = "David W. Norcross", title = "Review of electron-molecule scattering", journal = j-IJQC, volume = "24", number = "S17", pages = "191--191", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Swaminathan:1983:MPV, author = "P. K. Swaminathan and David A. Micha", title = "Molecular photodissociation by visible and ultraviolet radiation: {Time} evolution and state-to-state cross sections", journal = j-IJQC, volume = "24", number = "S17", pages = "192--192", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Davis:1983:NMC, author = "Larry P. Davis and Almon G. Turner", title = "1-nitropropene: {A} model compound for the theoretical study of {TNT} decomposition", journal = j-IJQC, volume = "24", number = "S17", pages = "193--193", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Vilallonga:1983:AET, author = "Eduardo Vilallonga and David A. Micha", title = "Asymptotic expansions of time-correlation functions for energy transfer in molecular collisions", journal = j-IJQC, volume = "24", number = "S17", pages = "194--194", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Weatherford:1983:VRF, author = "Charles A. Weatherford", title = "Vibrational resonances in the frame-transformation theory of electron-{H$_2$} scattering", journal = j-IJQC, volume = "24", number = "S17", pages = "195--195", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Kaufman:1983:IPE, author = "Joyce J. Kaufman", title = "Ab-initio potential energy functions for scattering from energy-partitioned ab-initio {SCF} intermolecular energies plus dispersion", journal = j-IJQC, volume = "24", number = "S17", pages = "197--198", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Ohrn:1983:IPI, author = "Yngve {\"O}hrn and Per-Olov L{\"o}wdin", title = "Introduction, {Part II}", journal = j-IJQC, volume = "24", number = "S17", pages = "199--199", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Avery:1983:MEM, author = "John Avery and Zhen-Yi Wen", title = "Matrix elements of a many-particle {Hamiltonian} evaluated using hyperspherical coordinates", journal = j-IJQC, volume = "24", number = "S17", pages = "201--206", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Coffman:1983:GAT, author = "R. E. Coffman", title = "A general approximation to the two-center exchange integral between complex {STOS}", journal = j-IJQC, volume = "24", number = "S17", pages = "207--216", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Davis:1983:SWF, author = "C. L. Davis and E. N. Maslen", title = "Series wave functions for the helium atom", journal = j-IJQC, volume = "24", number = "S17", pages = "217--225", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Allan:1983:CPS, author = "N. L. Allan and N. H. March", title = "{Compton} profile, $(e, 2 e)$ studies, and ``atoms in molecules''", journal = j-IJQC, volume = "24", number = "S17", pages = "227--240", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Nakatsuji:1983:CEW, author = "Hiroshi Nakatsuji", title = "Cluster expansion of the wave function. {Ionization} and excitation spectra of {NO} radical studied by the {SAC} and {SAC--CI} theory", journal = j-IJQC, volume = "24", number = "S17", pages = "241--255", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Pulay:1983:VFG, author = "Peter Pulay", title = "Variational formulation and gradient evaluation for coupled electron pair approximations: {A} model study", journal = j-IJQC, volume = "24", number = "S17", pages = "257--263", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Diercksen:1983:ECP, author = "Geerd H. F. Diercksen and Bj{\"o}rn O. Roos and Andrzej J. Sadlej", title = "Electron correlation and properties of many-electron systems", journal = j-IJQC, volume = "24", number = "S17", pages = "265--288", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jasien:1983:SDS, author = "Paul G. Jasien and Clifford E. Dykstra", title = "The significance of double substitutions in well-correlated electronic wave functions", journal = j-IJQC, volume = "24", number = "S17", pages = "289--296", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Adams:1983:SQE, author = "B. G. Adams and K. Jankowski", title = "A study of quasidegeneracy effects in the be-isoelectronic series", journal = j-IJQC, volume = "24", number = "S17", pages = "297--306", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Pople:1983:MPS, author = "John A. Pople and Michael J. Frisch and Brian T. Luke and J. Stephen Binkley", title = "A {M{\o}ller--Plesset} study of the energies of {AH$_n$} molecules {(A $=$ Li to F)}", journal = j-IJQC, volume = "24", number = "S17", pages = "307--320", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Brandas:1983:SEC, author = "E. J. Br{\"a}ndas and G. L. Bendazzoli and F. Ortolani", title = "Size extensivity corrections to a multireference {CI} by means of a random-phase average procedure", journal = j-IJQC, volume = "24", number = "S17", pages = "321--329", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Binkley:1983:IDB, author = "J. S. Binkley and M. J. Frisch", title = "ab initio determination of bond dissociation energies: {The} first-row diatomics {CO}, {N$_2$}, {NO}, {O$_2$}, and {F$_2$}", journal = j-IJQC, volume = "24", number = "S17", pages = "331--337", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Smentek-Mielczarek:1983:EEC, author = "L. Smentek-Mielczarek and K. Jankowski", title = "Effect of electron correlation on the forced electric-dipole transition probabilities in {f$^N$} systems. {III}. {Some} aspects of the mechanism of hypersensitive transitions", journal = j-IJQC, volume = "24", number = "S17", pages = "339--346", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Lee:1983:MMB, author = "Yoon S. Lee and Rodney J. Bartlett", title = "A multireference many-body perturbation theory study of {Be $+$ H$_2$ $\rightarrow$ BeH$_2$}", journal = j-IJQC, volume = "24", number = "S17", pages = "347--356", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{England:1983:OFTb, author = "Walter B. England", title = "Ordinary field-theoretic methods for self-consistent wave functions which describe bond formation and dissociation. {III}. {The} commutative coupling approximation", journal = j-IJQC, volume = "24", number = "S17", pages = "357--365", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Trsic:1983:UHF, author = "M. Trsic and W. G. Laidlaw", title = "The use of the {Hartree--Fock--Slater} eigenvalues to estimate excitation and ionization energies in sulfur--nitrogen compounds", journal = j-IJQC, volume = "24", number = "S17", pages = "367--374", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Sokalski:1983:CSS, author = "W. Andrzej Sokalski and Szczepan Roszak and Alfred H. Lowrey and P. C. Hariharan and Walter S. Koski and Joyce J. Kaufman and Richard S. Miller", title = "Crystal structure studies using ab-initio potential functions from partitioned ab-initio {MODPOT\slash VRDDO SCF} energy calculations. {I}. {N$_2$} and {CO$_2$} test cases. {II}. {Nitromethane}, {CH$_3$NO$_2$}", journal = j-IJQC, volume = "24", number = "S17", pages = "375--391", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Palma:1983:FCF, author = "A. Palma and J. Morales", title = "{Franck--Condon} factors and ladder operators. {I}. Harmonic oscillator", journal = j-IJQC, volume = "24", number = "S17", pages = "393--400", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Luken:1983:ASP, author = "William L. Luken and Joseph M. Leonard and John C. Culberson", title = "Application of the saddle-point variational method to self-consistent-field wave functions", journal = j-IJQC, volume = "24", number = "S17", pages = "401--405", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Alexander:1983:ISS, author = "S. A. Alexander and Carol Mcdonald and F. A. Matsen", title = "Ab initio surfaces of singlet and triplet methylene", journal = j-IJQC, volume = "24", number = "S17", pages = "407--414", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Kurtz:1983:PPB, author = "Henry A. Kurtz and Brian Weiner and Hans J{\o}rgen Aa. Jensen", title = "The polarization propagator based on an {AGP} state: {Theory} and application to the helium atom", journal = j-IJQC, volume = "24", number = "S17", pages = "415--423", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Hall:1983:RLP, author = "G. G. Hall", title = "Reactions in the liquid phase", journal = j-IJQC, volume = "24", number = "S17", pages = "425--429", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kestner:1983:PEC, author = "N. R. Kestner and M. D. Newton and T. L. Mathers", title = "Potential energy calculations for various water dimer configurations", journal = j-IJQC, volume = "24", number = "S17", pages = "431--439", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Barysz:1983:SCS, author = "M. Barysz and N. Trinajsti{\'c} and J. V. Knop", title = "On the similarity of chemical structures", journal = j-IJQC, volume = "24", number = "S17", pages = "441--451", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Mezey:1983:IHR, author = "Paul G. Mezey", title = "Inequalities and homotopy relations in reaction topology", journal = j-IJQC, volume = "24", number = "S17", pages = "453--460", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Deumens:1983:HAS, author = "E. Deumens and L. Lathouwers", title = "Highly accurate solutions of generator coordinate nuclear motion equations", journal = j-IJQC, volume = "24", number = "S17", pages = "461--469", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Thulstrup:1983:OSP, author = "Erik W. Thulstrup and Josef Michl", title = "Optical spectroscopy on partially oriented samples", journal = j-IJQC, volume = "24", number = "S17", pages = "471--482", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Ferraz:1983:VCM, author = "Armando C. Ferraz and Jos{\'e} R. Leite", title = "Variational cellular model of the energy bands of silicon", journal = j-IJQC, volume = "24", number = "S17", pages = "483--490", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Etters:1983:GSS, author = "R. D. Etters and A. A. Helmy and K. Kobashi", title = "Ground-state structural and magnetic properties of solid $\alpha$ and {$\beta$-O$_2$}", journal = j-IJQC, volume = "24", number = "S17", pages = "491--499", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Harriman:1983:DMD, author = "John E. Harriman", title = "Density matrix and density functional theory with a {Gaussian} wavepacket basis", journal = j-IJQC, volume = "24", number = "S17", pages = "501--515", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Clinton:1983:DMM, author = "W. L. Clinton and C. A. Frishberg and M. J. Goldberg and L. J. Massa and P. A. Oldfield", title = "Density matrix model for coherent {X}-ray diffraction: {Study} of experimental factors related to idempotency", journal = j-IJQC, volume = "24", number = "S17", pages = "517--525", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Bagayoko:1983:CGB, author = "D. Bagayoko", title = "Contraction of {Gaussian} basis sets and the total energy of fcc copper", journal = j-IJQC, volume = "24", number = "S17", pages = "527--535", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Csavinszky:1983:VCP, author = "P. Csavinszky", title = "Variational calculation of the potential resulting from a localized arbitrary spherically symmetric charge distribution", journal = j-IJQC, volume = "24", number = "S17", pages = "537--540", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Moriarty:1983:GPT, author = "John A. Moriarty", title = "Generalized pseudopotential theory of $d$-band metals", journal = j-IJQC, volume = "24", number = "S17", pages = "541--554", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Klein:1983:VLS, author = "D. J. Klein and W. A. Seitz and M. A. Garcia-Bach and J. M. Picone and D. C. Foyt", title = "Variational localized-site cluster expansions. {XI}. {Coherent} state derivation of effective {Heisenberg} {Hamiltonians}", journal = j-IJQC, volume = "24", number = "S17", pages = "555--571", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Flynn:1983:RRE, author = "C. P. Flynn and A. B. Kunz", title = "Recent results for excitonic processes in the spectra of metals and alloys", journal = j-IJQC, volume = "24", number = "S17", pages = "573--582", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cohen:1983:FYP, author = "Marvin L. Cohen", title = "Fifty years of pseudopotentials", journal = j-IJQC, volume = "24", number = "S17", pages = "583--595", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Duke:1983:ESP, author = "C. B. Duke and W. K. Ford", title = "The electronic structure of polymers: {Relation} to molecular architecture", journal = j-IJQC, volume = "24", number = "S17", pages = "597--608", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Mintmire:1983:TPC, author = "J. W. Mintmire and C. T. White", title = "Theoretical photoelectron cross sections for chain polymers", journal = j-IJQC, volume = "24", number = "S17", pages = "609--612", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Shepard:1983:QCC, author = "Ron Shepard and Raymond A. Bair and Robert A. Eades and Albert F. Wagner and Michael J. Davis and Lawrence B. Harding and Thom H. {Dunning, Jr.}", title = "Quantum chemical calculations using the {Floating Point Systems, Inc. Model 164} attached processor", journal = j-IJQC, volume = "24", number = "S17", pages = "613--622", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Kunz:1983:STS, author = "A. Barry Kunz", title = "A series of tests of small- and medium-scale computers commonly used for computations by solid-state theorists and quantum chemists", journal = j-IJQC, volume = "24", number = "S17", pages = "623--627", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Knop:1983:CT, author = "J. V. Knop and K. Szymanski and N. Trinajsti{\'c}", title = "Computers of tomorrow", journal = j-IJQC, volume = "24", number = "S17", pages = "629--642", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Chabalowski:1983:IMC, author = "Cary Chabalowski and P. C. Hariharan and Joyce J. Kaufman and Robert Buenker", title = "Ab-initio multireference {CI} calculations on {CH$_3$NO$_2$} confirm earlier preliminary {GVB} and {MCSCF\slash CI} results that {HNO$_2$} and {CH$_3$NO$_2$} have multiconfiguration ground electronic states even at equilibrium geometry as well as multiconfiguration excited states", journal = j-IJQC, volume = "24", number = "S17", pages = "643--644", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Golab:1983:PCM, author = "Joseph T. Golab and Danny L. Yeager and Poul J{\o}rgensen", title = "Proper characterization of {MCSCF} stationary points", journal = j-IJQC, volume = "24", number = "S17", pages = "645--645", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Emin:1983:SPF, author = "David Emin", title = "Small-polaron formation and motion", journal = j-IJQC, volume = "24", number = "S17", pages = "647--647", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Anonymous:1983:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "24", number = "S17", pages = "fmi--fmi", day = "3--12", month = mar, year = "1983", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560240801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:29:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-state Theory, Collision Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Pyykko:1984:I, author = "Pekka Pyykk{\"o}", title = "Introduction", journal = j-IJQC, volume = "25", number = "1", pages = "1--2", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Sucher:1984:FRT, author = "J. Sucher", title = "Foundations of the relativistic theory of many-electron bound states", journal = j-IJQC, volume = "25", number = "1", pages = "3--21", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Grant:1984:RAS, author = "I. P. Grant", title = "Relativistic atomic structure theory: {Some} recent work", journal = j-IJQC, volume = "25", number = "1", pages = "23--46", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Rudzikas:1984:RSA, author = "Z. B. Rudzikas", title = "Relativistic studies of atoms and ions with complex configurations", journal = j-IJQC, volume = "25", number = "1", pages = "47--55", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Simonis:1984:IBA, author = "V. {\v{C}}. {\v{S}}imonis and J. M. Kaniauskas and Z. B. Rudzikas", title = "Isospin basis for atoms in relativistic approximation", journal = j-IJQC, volume = "25", number = "1", pages = "57--62", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Safronova:1984:RCA, author = "U. I. Safronova and T. A. Tsirekidze", title = "Relativistic calculation of autoionization widths of {$1s 2s 2p_j J$}, {$1s 2s^2${}$^2S_{1/2}$}, and {$1s 2p_J^2 p_j^\prime J$} levels", journal = j-IJQC, volume = "25", number = "1", pages = "63--68", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Pokleba:1984:PTC, author = "A. K. Pokleba and U. I. Safronova", title = "{$1/Z$} perturbation theory for calculation of line strengths in the neon isoelectronic sequence", journal = j-IJQC, volume = "25", number = "1", pages = "69--75", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Migdalek:1984:CPR, author = "J. Migdalek and W. E. Baylis", title = "Core polarization and relativistic effects competition in the first ionization potentials for some systems in the {Cu}, {Ag}, and {Au} isoelectronic sequences", journal = j-IJQC, volume = "25", number = "1", pages = "77--77", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Avery:1984:UMR, author = "John Avery", title = "Use of the {$S$}-matrix in the relativistic treatment of resonance energy transfer", journal = j-IJQC, volume = "25", number = "1", pages = "79--96", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Fricke:1984:CS, author = "B. Fricke and A. Ros{\'e}n", title = "Collision systems", journal = j-IJQC, volume = "25", number = "1", pages = "97--105", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Kutzelnigg:1984:BSE, author = "Werner Kutzelnigg", title = "Basis set expansion of the {Dirac} operator without variational collapse", journal = j-IJQC, volume = "25", number = "1", pages = "107--129", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Pitzer:1984:RCD, author = "Kenneth S. Pitzer", title = "Relativistic calculations of dissociation energies and related properties", journal = j-IJQC, volume = "25", number = "1", pages = "131--148", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Kahn:1984:ESM, author = "Luis R. Kahn", title = "Electronic structure of molecules using one-component wave functions and relativistic effective core potentials", journal = j-IJQC, volume = "25", number = "1", pages = "149--183", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Ellis:1984:SCD, author = "D. E. Ellis and G. L. Goodman", title = "Self-consistent {Dirac--Slater} calculations for molecules and embedded clusters", journal = j-IJQC, volume = "25", number = "1", pages = "185--200", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Larsson:1984:ESP, author = "Sven Larsson and Lars-Fride Olsson and Arne Ros{\'e}n", title = "Electronic structure of the {PdCl$_4^{2-}$} and {PtCl$_4^{2-}$} ions", journal = j-IJQC, volume = "25", number = "1", pages = "201--209", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Lohr:1984:EEE, author = "Lawrence L. {Lohr, Jr.}", title = "Electronegativity equalization and the electronic structure of polyhedral clusters of main-group atoms", journal = j-IJQC, volume = "25", number = "1", pages = "211--221", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Viste:1984:SOE, author = "A. Viste and P. Pyykk{\"o}", title = "Spin-orbit excitation in the system {I} + {I$_2$}: {Relativistically} parameterized {extended-H{\"u}ckel} calculations", journal = j-IJQC, volume = "25", number = "1", pages = "223--231", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Christensen:1984:RBS, author = "N. Egede Christensen", title = "Relativistic band structure calculations", journal = j-IJQC, volume = "25", number = "1", pages = "233--261", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{VonBoehm:1984:RCV, author = "J. {Von Boehm} and H. M. Isom{\"a}ki", title = "Relativistic corrections to the valence and conduction band edges of anisotropic semiconductors", journal = j-IJQC, volume = "25", number = "1", pages = "263--263", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Anonymous:1984:AIA, author = "Anonymous", title = "Announcement. {International} academy of quantum molecular sciences", journal = j-IJQC, volume = "25", number = "1", pages = "273--273", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250121", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Anonymous:1984:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "25", number = "1", pages = "fmi--fmi", month = jan, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Apr 2005", } @Article{Kryachko:1984:CDP, author = "Eugene S. Kryachko", title = "On construction of diatomic potential energy functions", journal = j-IJQC, volume = "25", number = "2", pages = "277--291", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karafiloglou:1984:AMS, author = "Padeleimon Karafiloglou", title = "Analytical {MO} study of the singlet--triplet coupling in xylylenes", journal = j-IJQC, volume = "25", number = "2", pages = "293--308", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Flurry:1984:GSG, author = "R. L. {Flurry, Jr.}", title = "Groups of simple graphs", journal = j-IJQC, volume = "25", number = "2", pages = "309--320", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kari:1984:PCA, author = "Roy Kari", title = "Parametrization and comparative analysis of the {BFGS} optimization algorithm for the determination of optimum linear coefficients", journal = j-IJQC, volume = "25", number = "2", pages = "321--329", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sykja:1984:GEM, author = "Besnik Sykja and Jean-Louis Calais", title = "Gap equations for molecular systems", journal = j-IJQC, volume = "25", number = "2", pages = "331--346", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Koga:1984:MDI, author = "Toshikatsu Koga", title = "Momentum density interpretation of the {H(1s)--H$^+$} long-range force", journal = j-IJQC, volume = "25", number = "2", pages = "347--354", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leonard:1984:CLM, author = "Joseph M. Leonard and William L. Luken", title = "Calculation of localized molecular orbitals", journal = j-IJQC, volume = "25", number = "2", pages = "355--365", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{deBruijn:1984:AIS, author = "Steef de Bruijn", title = "Analysis of the inadequacies of some semi-empirical {MO} methods as theories of structure and reactivity", journal = j-IJQC, volume = "25", number = "2", pages = "367--390", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schuch:1984:NST, author = "D. Schuch and K.-M. Chung and H. Hartmann", title = "Nonlinear {Schr{\"o}dinger-type} field equation for the description of dissipative systems. {II}. {Frictionally} damped motion in a magnetic field", journal = j-IJQC, volume = "25", number = "2", pages = "391--410", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poirier:1984:ICS, author = "Raymond A. Poirier and Raymond Daudel and Roy E. Kari and Imre G. Csizmadia", title = "Ab initio calculations on sulfur-containing compounds. {II}. {One}-electron properties of {H$_2$S}", journal = j-IJQC, volume = "25", number = "2", pages = "411--421", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paldus:1984:BLA, author = "J. Paldus and M. Takahashi", title = "Bond length alternation in cyclic polyenes. {IV}. {Finite}-order perturbation theory approach", journal = j-IJQC, volume = "25", number = "2", pages = "423--443", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pudzianowski:1984:MSO, author = "Andrew T. Pudzianowski and Gilda H. Loew", title = "Mechanistic studies of oxene reactions with organic substrates: {Reaction} paths on {MNDO} enthalpy surfaces---models for cytochrome {P450} oxidations", journal = j-IJQC, volume = "25", number = "2", pages = "445--445", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taylor:1984:RSP, author = "William J. Taylor", title = "Rayleigh--Schr{\"o}dinger perturbation theory for many-electron systems with partitioning of configurations by orders of excitation", journal = j-IJQC, volume = "25", number = "2", pages = "447--447", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "25", number = "2", pages = "fmi--fmii", month = feb, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Piecuch:1984:STT, author = "Piotr Piecuch", title = "Spherical tensor theory of long-range interactions between two molecules", journal = j-IJQC, volume = "25", number = "3", pages = "449--473", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lochmann:1984:CSI, author = "R. Lochmann and Th. Weller", title = "Calculation of systems involving strong delocalized bonds within a modified {PCILO} framework. {I}. {Valence}-bond {PCILO} method", journal = j-IJQC, volume = "25", number = "3", pages = "475--481", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pelissier:1984:FOE, author = "Michel Pelissier and Ernest R. Davidson", title = "Frozen orbital effects in the computation of excitation energies of the iron atom", journal = j-IJQC, volume = "25", number = "3", pages = "483--491", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laurence:1984:SRP, author = "Patricia R. Laurence and Peter Politzer", title = "Some reactive properties of chlorooxirane, a likely carcinogenic metabolite of vinyl chloride", journal = j-IJQC, volume = "25", number = "3", pages = "493--502", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jonsson:1984:QMS, author = "B. J{\"o}nsson and S. Romano and G. Karlstr{\"o}m", title = "Quantum-mechanical and statistical mechanical studies of the torsional barrier of {H$_2$O$_2$} in aqueous solution", journal = j-IJQC, volume = "25", number = "3", pages = "503--514", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Facelli:1984:TSM, author = "J. C. Facelli and C. G. Giribet and R. H. Contreras", title = "A theoretical study of medium effects on the transmission mechanisms of the {Fermi} contact term of spin--spin coupling constants in the acetamide molecule", journal = j-IJQC, volume = "25", number = "3", pages = "515--525", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sarai:1984:TSI, author = "Akinori Sarai and Minoru Saito", title = "Theoretical studies on the interaction of proteins with base pairs. {I}. {Ab} initio calculation for the effect of {H}-bonding interaction of proteins on the stability of adenine--uracil pair", journal = j-IJQC, volume = "25", number = "3", pages = "527--533", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pan:1984:TCV, author = "Dai-Kai Pan and Bang-Rong Zhang", title = "Theoretical calculation of vertical ionization potentials of {B$_2$H$_6$} by means of {$\Delta E_{\rm SCF}$} procedures", journal = j-IJQC, volume = "25", number = "3", pages = "535--542", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kalcher:1984:IPC, author = "Josef Kalcher and Alexander Sax and Gottfried Olbrich", title = "Ab initio and pseudopotential calculations on the singlet and triplet states of the disilyne isomers", journal = j-IJQC, volume = "25", number = "3", pages = "543--552", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gould:1984:UGAa, author = "M. D. Gould and G. S. Chandler", title = "Unitary group approach to the many-electron problem. {I}. {Matrix} element evaluation and shift operators", journal = j-IJQC, volume = "25", number = "3", pages = "553--601", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gould:1984:UGAb, author = "M. D. Gould and G. S. Chandler", title = "Unitary group approach to the many-electron problem. {II}. {Adjoint} tensor operators for {U} (n)", journal = j-IJQC, volume = "25", number = "3", pages = "603--633", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "25", number = "3", pages = "fmi--fmii", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1984:FDD, author = "Eugene S. Kryachko", title = "Four-dimensional density and energy density functional", journal = j-IJQC, volume = "25", number = "4", pages = "637--644", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beznosjuk:1984:DFT, author = "Serge A. Beznosjuk and Eugene S. Kryachko", title = "Density functional theory: {Approximating} quasiparticle density functional", journal = j-IJQC, volume = "25", number = "4", pages = "645--651", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sun:1984:LAU, author = "Chia-Chung Sun and Xue-Qui Li and Au-Chin Tang", title = "Lie algebra and unitarily invariant decomposition of {Hermitian} operators", journal = j-IJQC, volume = "25", number = "4", pages = "653--666", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balint:1984:PDR, author = "Imre B{\'a}lint and Mikl{\'o}s I. B{\'a}n", title = "A procedure for determining reaction paths and saddle points", journal = j-IJQC, volume = "25", number = "4", pages = "667--675", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Requena:1984:VRL, author = "A. Requena and J. Zu{\~n}iga and R. Pe{\~n}a", title = "Vibrational--rotational levels of diatomic {RKR} potentials", journal = j-IJQC, volume = "25", number = "4", pages = "677--686", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gustav:1984:VCE, author = "Klaus Gustav and Roland Colditz", title = "Vibronic coupling of electronic states. {IV}. {Harmonic CBO} potentials with equal minima positions---the influence of different vibronic coupling strengths on the electronic absorption and emission spectra containing a longest-wavelength electronically forbidden transition", journal = j-IJQC, volume = "25", number = "4", pages = "687--697", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jin:1984:QCS, author = "Suqian Jin and Ruozhuang Liu", title = "Quantum-chemical study of electrophilic addition reaction of iodine to ethylene", journal = j-IJQC, volume = "25", number = "4", pages = "699--705", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pauncz:1984:NDW, author = "Ruben Pauncz", title = "New derivation of the {Waller--Hartree--Fock} spatial wave function", journal = j-IJQC, volume = "25", number = "4", pages = "707--713", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Riera:1984:CSC, author = "Josep M. Riera and Josep Marin{\'e}", title = "Chemical shifts calculation in a {CNDO} framework. {I}. {Formulation} and analysis of the model", journal = j-IJQC, volume = "25", number = "4", pages = "715--721", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pelissier:1984:BAM, author = "Michel Pelissier and Ernest R. Davidson", title = "Bonding in alkali metal homonuclear diatomics", journal = j-IJQC, volume = "25", number = "4", pages = "723--731", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klimo:1984:SPC, author = "Villiam Klimo and Josef Ti{\v{n}}o", title = "Study of potential curves by {UHF}-type methods. {VI}. {Spin}-extended {Hartree--Fock} method", journal = j-IJQC, volume = "25", number = "4", pages = "733--742", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saran:1984:MOS, author = "Anil Saran and C. L. Chatterjee", title = "Molecular orbital studies on the structure of nucleoside analogs. {IV}. {Conformation} of 3-deazapurine nucleosides", journal = j-IJQC, volume = "25", number = "4", pages = "743--752", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "25", number = "4", pages = "fmi--fmii", month = apr, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:44 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fraczak:1984:SRA, author = "Marek Fraczak", title = "Statistical representation of atomic systems structure. {I}. {Total} binding energy as a function of the relative information content", journal = j-IJQC, volume = "25", number = "5", pages = "755--766", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panin:1984:MRC, author = "A. I. Panin", title = "Method of recurrent construction of {L{\"o}wdin} spin-adapted wave functions. {IV}. {Matrix} element evaluation problem", journal = j-IJQC, volume = "25", number = "5", pages = "767--793", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dunne:1984:MTC, author = "Lawrence J. Dunne and George M. Bell and Leon L. Combs", title = "Molecular theory of critical phenomena in aliphatic carboxylic acid monolayers", journal = j-IJQC, volume = "25", number = "5", pages = "795--808", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Das:1984:CPS, author = "Kalyan Kumar Das and Debashis Mukherjee and Sankar Prasad Bhattacharyya and Debendra Madhab Bhattacharyya and Priyotosh Khan", title = "Convergence problems in {SCF} calculations: {Further} applications of a new technique based on the use of inverse {Fock} operator", journal = j-IJQC, volume = "25", number = "5", pages = "809--816", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bohm:1984:BSP, author = "Michael C. B{\"o}hm", title = "The band structure of {porphyrinatonickel(II)}. {A} semiempirical crystal orbital study based on the tight-binding formalism", journal = j-IJQC, volume = "25", number = "5", pages = "817--851", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1984:GFQ, author = "Paul G. Mezey", title = "A general formulation of the ``quantum chemical le {Chatelier} principle''", journal = j-IJQC, volume = "25", number = "5", pages = "853--861", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Defranceschi:1984:NSH, author = "M. Defranceschi and M. Suard and G. Berthier", title = "Numerical solution of {Hartree--Fock} equations for a polyatomic molecule: {Linear H$_3$} in momentum space", journal = j-IJQC, volume = "25", number = "5", pages = "863--867", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bauer:1984:EEN, author = "Joanne {Bauer, Sr.} and Peter Politzer", title = "The effect of an epoxide--nucleophile reaction upon hydrogen bonding involving the nucleophile", journal = j-IJQC, volume = "25", number = "5", pages = "869--879", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hall:1984:FED, author = "G. G. Hall and C. M. Smith", title = "Fitting electron densities of molecules", journal = j-IJQC, volume = "25", number = "5", pages = "881--890", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shipsey:1984:AAE, author = "Edward J. Shipsey", title = "Asymptotic analysis of exchange interactions", journal = j-IJQC, volume = "25", number = "5", pages = "891--914", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Silverman:1984:GHF, author = "Jeremiah N. Silverman", title = "Generalized {Hellmann--Feynman} and curvature theorems in classical and quantum mechanics", journal = j-IJQC, volume = "25", number = "5", pages = "915--928", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "25", number = "5", pages = "fmi--fmii", month = may, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lazzeretti:1984:SMF, author = "P. Lazzeretti and E. Rossi and R. Zanasi", title = "Singularities of magnetic-field induced electron current density: a study of the ethylene molecule", journal = j-IJQC, volume = "25", number = "6", pages = "929--940", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Niukkanen:1984:FTAa, author = "A. W. Niukkanen", title = "{Fourier} transforms of atomic orbitals. {I}. {Reduction} to four-dimensional harmonics and quadratic transformations", journal = j-IJQC, volume = "25", number = "6", pages = "941--955", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Niukkanen:1984:FTAb, author = "A. W. Niukkanen", title = "{Fourier} transforms of atomic orbitals. {II}. {Convolution} theorems", journal = j-IJQC, volume = "25", number = "6", pages = "957--964", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mukhopadhyay:1984:USG, author = "Atri Mukhopadhyay", title = "On the use of spin graphs for spin adapting many-body perturbation theory", journal = j-IJQC, volume = "25", number = "6", pages = "965--1002", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ramasesha:1984:DVB, author = "S. Ramasesha and Z. G. Soos", title = "Diagrammatic valence-bond theory for finite model {Hamiltonians}", journal = j-IJQC, volume = "25", number = "6", pages = "1003--1021", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1984:CBS, author = "Francisco M. Fern{\'a}ndez and Gustavo A. Arteca and Eduardo A. Castro", title = "Calculation of bound-state energies from a variational functional method", journal = j-IJQC, volume = "25", number = "6", pages = "1023--1033", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Simas:1984:NSM, author = "Alfredo M. Simas and Vedene H. {Smith, Jr.} and Per Kaijser", title = "The nodal structure of the momentum distributions of molecules", journal = j-IJQC, volume = "25", number = "6", pages = "1035--1044", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sun:1984:UID, author = "Chia-Chung Sun and Xue-Qui Li and Au-Chin Tang", title = "On the unitarily invariant decomposition of {Hermitian} operators", journal = j-IJQC, volume = "25", number = "6", pages = "1045--1054", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lochmann:1984:MPF, author = "R. Lochmann and Th. Weller and H.-J. K{\"o}hler", title = "A modified {PCILO} framework using the {CNDO \slash Boyd--Whitehead} parametrization", journal = j-IJQC, volume = "25", number = "6", pages = "1055--1060", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lochmann:1984:CPM, author = "R. Lochmann and Th. Weller", title = "Calculation of periodic molecular systems with perturbed periodicity within the {PCILO} framework. {II}. {Model} systems", journal = j-IJQC, volume = "25", number = "6", pages = "1061--1067", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1984:FQM, author = "John Avery and Wen Zhen-Yi", title = "A formulation of the quantum-mechanical many-body problem in terms of hyperspherical coordinates", journal = j-IJQC, volume = "25", number = "6", pages = "1069--1087", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gould:1984:UGAc, author = "M. D. Gould and G. S. Chandler", title = "Unitary group approach to the many-electron problem. {III}. {Matrix} elements of spin-dependent {Hamiltonians}", journal = j-IJQC, volume = "25", number = "6", pages = "1089--1109", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kent:1984:UGA, author = "R. D. Kent and M. Schlesinger", title = "Unitary group approach to crystal field theory: {Projection} operator approach", journal = j-IJQC, volume = "25", number = "6", pages = "1111--1121", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lazzeretti:1984:MPI, author = "P. Lazzeretti and E. Rossi and R. Zanasi", title = "Magnetic properties and induced current density in acetylene", journal = j-IJQC, volume = "25", number = "6", pages = "1123--1134", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Simons:1984:GDD, author = "Jack Simons and Poul J{\o}rgensen", title = "Geometrical derivatives of dipole moments and polarizabilities", journal = j-IJQC, volume = "25", number = "6", pages = "1135--1150", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "25", number = "6", pages = "fmi--fmii", month = jun, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560250601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gadea:1984:EVB, author = "Xavier Gadea and Daniel Maynau and Jean-Paul Malrieu", title = "Effective valence bond {Hamiltonian} for the cations of conjugated hydrocarbons", journal = j-IJQC, volume = "26", number = "1", pages = "1--20", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bohm:1984:ILM, author = "Stanislav B{\"o}hm and Josef Kuthan", title = "An ab initio {LCAO--MO} study of the substituent effect in benzenoid systems: {Meta}- and para-substituted benzoic acids", journal = j-IJQC, volume = "26", number = "1", pages = "21--33", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dmitriev:1984:TCM, author = "Yuri Yu. Dmitriev and Bj{\"o}rn O. Roos", title = "Theory and computational methods for studies of nonlinear phenomena in laser spectroscopy. {I}. {General} formalism", journal = j-IJQC, volume = "26", number = "1", pages = "35--49", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roos:1984:TCM, author = "Bj{\"o}rn O. Roos and Yuri Yu. Dmitriev and Matti Hotokka", title = "Theory and computational methods for studies of nonlinear phenomena in laser spectroscopy. {II}. {Calculations} of steady-state wave functions", journal = j-IJQC, volume = "26", number = "1", pages = "51--68", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1984:SPC, author = "Milan Randi{\'c} and Michael I. Davis", title = "Symmetry properties of chemical graphs. {VI}. {Isomerizations} of octahedral complexes", journal = j-IJQC, volume = "26", number = "1", pages = "69--89", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1984:ICG, author = "A. M. Sapse and C. S. Russell", title = "Ab initio calculations of guanidinium--carboxylate interaction", journal = j-IJQC, volume = "26", number = "1", pages = "91--99", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pickup:1984:UGF, author = "B. T. Pickup and A. Mukhopadhyay", title = "A unitary group formulation of many-body theory: {The} spin-shift formalism", journal = j-IJQC, volume = "26", number = "1", pages = "101--123", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mukhopadhyay:1984:UGF, author = "Atri Mukhopadhyay and Barry T. Pickup", title = "A unitary group formulation of many-body theory: {Diagram} systematics and use of the spin shifts", journal = j-IJQC, volume = "26", number = "1", pages = "125--143", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balbas:1984:RBT, author = "L. C. Balb{\'a}s and M. L. Zorita and J. A. Alonso", title = "Relation between total energy, electronic potential at the nucleus, and chemical potential of positive ions", journal = j-IJQC, volume = "26", number = "1", pages = "145--149", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1984:BOV, author = "I. Mayer", title = "Bond order and valence: {Relations} to {Mulliken}'s population analysis", journal = j-IJQC, volume = "26", number = "1", pages = "151--154", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "1", pages = "fmi--fmii", month = jul, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thakkar:1984:AEI, author = "Ajit J. Thakkar and A. N. Tripathi and Vedene H. {Smith, Jr.}", title = "Anisotropic electronic intracule densities for diatomics", journal = j-IJQC, volume = "26", number = "2", pages = "157--166", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Les:1984:HGG, author = "Andrzej Le{\'s} and S{\l}awomir Grabowski", title = "Hydration of {GABA} and of the {GABA$\cdot$ZN$^{2+}$} complex: {A Monte Carlo} simulation study", journal = j-IJQC, volume = "26", number = "2", pages = "167--181", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hilal:1984:ESP, author = "Rifaat Hilal and Hussein Moustafa", title = "Electronic structure of the peptide linkage. {I}. {Equilibrium} geometry and electronic properties of formhydroxamic acid", journal = j-IJQC, volume = "26", number = "2", pages = "183--196", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dovesi:1984:IHF, author = "Roberto Dovesi", title = "Ab initio {Hartree--Fock} approach to the study of polymers: {Application} to polyacetylenes", journal = j-IJQC, volume = "26", number = "2", pages = "197--212", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adamowicz:1984:NEN, author = "Ludwik Adamowicz and Rodney J. Bartlett", title = "New efficient numerical method for solving pair correlation equations for diatomic molecules", journal = j-IJQC, volume = "26", number = "2", pages = "213--221", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1984:ISNa, author = "Anne-Marie Sapse and Louis Osorio and Grace Snyder", title = "Ab initio studies of negative ion-molecule(s) clusters present in the atmosphere. {II}. {OH$^-$ (H$_2$O)$_n$} for $n = 0, 2, 3, 4$", journal = j-IJQC, volume = "26", number = "2", pages = "223--230", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1984:ISNb, author = "Anne-Marie Sapse and Louis Osorio and Grace Snyder", title = "Ab initio studies of negative ion-molecule(s) clusters present in the atmosphere. {III}. {OH$^-$(CO$_2$)$_n$} for {$n = 1, 2$}", journal = j-IJQC, volume = "26", number = "2", pages = "231--236", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rawlings:1984:TIEa, author = "Diane C. Rawlings and Ernest R. Davidson and Martin Gouterman", title = "Theoretical invstigations of the electronic states of porphyrins. {I}. {Basis} set development and predicted spectrum of pyrrole", journal = j-IJQC, volume = "26", number = "2", pages = "237--250", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rawlings:1984:TIEb, author = "Diane C. Rawlings and Ernest R. Davidson and Martin Gouterman", title = "Theoretical investigations of the electronic states of porphyrins. {II}. {Normal} and hyper phosphorus porphyrins", journal = j-IJQC, volume = "26", number = "2", pages = "251--274", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Helgaker:1984:SQA, author = "Trygve U. Helgaker and Jan Alml{\"o}f", title = "A second-quantization approach to the analytical evaluation of response properties for perturbation-dependent basis sets", journal = j-IJQC, volume = "26", number = "2", pages = "275--291", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smeyers:1984:BRB, author = "Yves G. Smeyers", title = "Book Review: {{\booktitle{ETO multicenter molecular integrals}}. Edited by Charles A. Weatherford and Herbert W. Jones, D. Reidel P., Dordrecht, Holland, 1982. ISBN 90-277-1488-6}", journal = j-IJQC, volume = "26", number = "2", pages = "293--293", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Weatherford:1982:EMM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goscinski:1984:LL, author = "Osvaldo Goscinski and Jean-Louis Calais", title = "{L{\"o}wdin} lectures", journal = j-IJQC, volume = "26", number = "2", pages = "295--295", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "2", pages = "fmi--fmii", month = aug, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Herzig:1984:CGC, author = "P. Herzig", title = "{Clebsch--Gordan} coefficients for the group chains {$O \supset T \supset D_2$} and {$T_d \supset T \supset D_2$} by the method of projective representations", journal = j-IJQC, volume = "26", number = "3", pages = "297--312", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Esser:1984:DMM, author = "M. Esser", title = "Direct {MRCI} method for the calculation of relativistic many-electron wavefunctions. {I}. {General} formalism", journal = j-IJQC, volume = "26", number = "3", pages = "313--338", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ozkan:1984:GHO, author = "{\.I}lker {\"O}zkan", title = "General harmonic oscillator integrals by the operator method", journal = j-IJQC, volume = "26", number = "3", pages = "339--347", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Takahashi:1984:BLA, author = "M. Takahashi and J. Paldus", title = "Bond length alternation in cyclic polyenes. {V}. {Local} finite-order perturbation theory approach", journal = j-IJQC, volume = "26", number = "3", pages = "349--371", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adamowicz:1984:TDS, author = "Ludwik Adamowicz and E. A. {McCullough, Jr.}", title = "{N}$^2$-time-dependent {SCF} scheme", journal = j-IJQC, volume = "26", number = "3", pages = "373--381", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paniagua:1984:LMO, author = "Juan Carlos Paniagua and Albert Moyano and Luis Mar{\'\i}a Tel", title = "Localized molecular orbitals for multiple bonds in the {ZDO} approximation: {The} $\sigma$-$\pi$ vs. banana bonds dilemma", journal = j-IJQC, volume = "26", number = "3", pages = "383--403", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kibler:1984:MPR, author = "Maurice Kibler and Tidjani Negadi", title = "Motion of a particle in a ring-shaped potential: {An} approach via a nonbijective canonical transformation", journal = j-IJQC, volume = "26", number = "3", pages = "405--410", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Novaro:1984:MAP, author = "O. Novaro and S. Castillo", title = "Multibody analysis of potential energy surfaces for first- and second-row tetramers. {I}. {The} tetrahedral structures of {P$_4$} and {N$_4$}", journal = j-IJQC, volume = "26", number = "3", pages = "411--423", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laurence:1984:RPT, author = "Patricia R. Laurence and Timothy R. Proctor and Peter Politzer", title = "Reactive properties of {\em trans\/}-dichlorooxirane in relation to the contrasting carcinogenicities of vinyl chloride and {\em trans\/}-dichloroethylen", journal = j-IJQC, volume = "26", number = "3", pages = "425--438", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Slanina:1984:ACI, author = "Zden{\v{e}}k Slanina", title = "Adsorption-complex isomerism and quantum-chemical studies in heterogeneous catalysis", journal = j-IJQC, volume = "26", number = "3", pages = "439--439", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "3", pages = "fmi--fmii", month = sep, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gould:1984:SDU, author = "M. D. Gould and G. S. Chandler", title = "A spin-dependent unitary group approach to many-electron systems", journal = j-IJQC, volume = "26", number = "4", pages = "441--455", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1984:BZD, author = "J. O. O. Oriade", title = "Brillouin-zone double integrals", journal = j-IJQC, volume = "26", number = "4", pages = "457--461", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Golovko:1984:IDP, author = "V. F. Golovko", title = "Iterative degenerate perturbation theory", journal = j-IJQC, volume = "26", number = "4", pages = "463--478", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tillieu:1984:UAL, author = "Jacques Tillieu and Augustin {Van Groenendael}", title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$ {\'e}tats. {III}. {D{\'e}finition} et obtention des constantes du mouvement conjoncturelles. ({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in the study of quantum systems of $n$ states. {III}. {Definition} and determination of conjectured constants of movement]", journal = j-IJQC, volume = "26", number = "4", pages = "479--488", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Katriel:1984:WTM, author = "J. Katriel and D. Feller and E. R. Davidson", title = "Why is there a molecular relativistic effect?", journal = j-IJQC, volume = "26", number = "4", pages = "489--495", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1984:PTW, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Perturbation theory without wave function for multidimensional systems", journal = j-IJQC, volume = "26", number = "4", pages = "497--505", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dinesha:1984:CIM, author = "K. V. Dinesha and Juergen Hinze", title = "Configuration interaction matrix elements for atoms using permutation group algebra", journal = j-IJQC, volume = "26", number = "4", pages = "507--519", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Feng:1984:MAP, author = "W. L. Feng and O. Novaro", title = "Multibody analysis of potential energy surfaces for first- and second-row tetramers. {II}. {The} cases of {O$_4$} and {S$_4$}", journal = j-IJQC, volume = "26", number = "4", pages = "521--533", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1984:MIA, author = "Kazuhiro Ishida", title = "Molecular integrals arising in the linear response theory of {van der Waals} forces", journal = j-IJQC, volume = "26", number = "4", pages = "535--559", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1984:EN, author = "Per-Olov L{\"o}wdin and Jean-Louis Calais and Yngve {\"O}hrn", title = "Editor' {Note}", journal = j-IJQC, volume = "26", number = "4", pages = "i--i", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "4", pages = "fmi--fmii", month = oct, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:45 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DelRe:1984:MEP, author = "Giuseppe {Del Re} and Vincenzo Barone and Francesco Lelj", title = "The mechanisms of elementary physicochemical processes: {An} introductory report", journal = j-IJQC, volume = "26", number = "5", pages = "563--591", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Serre:1984:TAC, author = "Josiane Serre", title = "Theoretical approach of the chemical reactivity: {The S$_N$} 2 reaction", journal = j-IJQC, volume = "26", number = "5", pages = "593--605", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Havlas:1984:TSR, author = "Zden{\v{e}}k Havlas and Rudolf Zahradn{\'\i}k", title = "Theoretical studies of reaction mechanism in chemistry", journal = j-IJQC, volume = "26", number = "5", pages = "607--619", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barone:1984:GPU, author = "Vincenzo Barone and Nadia Bianchi and Francesco Lelj and Nino Russo", title = "Gas phase unimolecular 1,1-hydrogen elimination: {Reaction} mechanism and isotope effect", journal = j-IJQC, volume = "26", number = "5", pages = "621--636", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonaccorsi:1984:SII, author = "Rosanna Bonaccorsi and Caterina Ghio and Jacopo Tomasi", title = "On a semiclassical interpretation of inter- and intramolecular interactions", journal = j-IJQC, volume = "26", number = "5", pages = "637--686", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Parr:1984:RCA, author = "Robert G. Parr", title = "Remarks on the concept of an atom in a molecule and on charge transfer between atoms on molecule formation", journal = j-IJQC, volume = "26", number = "5", pages = "687--692", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{McWeeny:1984:SML, author = "R. McWeeny", title = "Simple models for large-molecule calculations", journal = j-IJQC, volume = "26", number = "5", pages = "693--708", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Julg:1984:CCB, author = "A. Julg", title = "The concept of the chemical bond", journal = j-IJQC, volume = "26", number = "5", pages = "709--715", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Delhalle:1984:CLD, author = "J. Delhalle", title = "Convergence of {LCAO} density matrices in {Hartree---Fock} calculations on extended model chains", journal = j-IJQC, volume = "26", number = "5", pages = "717--723", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stoll:1984:PCI, author = "Hermann Stoll and L{\'a}szl{\"o} V. Szentp{\'a}ly and Patricio Fuentealba and J{\"u}rgen Flad and Michael Dolg and Franz-xaver Fraschio and Peter Schwerdtfeger and Gudrun Igel and Heinzwerner Preuss", title = "Pseudopotential calculations including core-valence correlation: {Alkali} and noble-metal compounds", journal = j-IJQC, volume = "26", number = "5", pages = "725--727", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Skancke:1984:IBT, author = "Per N. Skancke", title = "On the interplay between theory and experiment in molecular structure problems: {Some} case studies", journal = j-IJQC, volume = "26", number = "5", pages = "729--741", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fliszar:1984:CDC, author = "S{\'a}ndor Flisz{\'a}r", title = "Charge distributions and chemical effects. {XXXIV}. {Concepts} involved in an approximate, but accurate, description of bond energies", journal = j-IJQC, volume = "26", number = "5", pages = "743--752", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seel:1984:EIQ, author = "M. Seel", title = "The effect of an impurity in quasi-one-dimensional systems: {Green}'s function and cluster model approach in comparison", journal = j-IJQC, volume = "26", number = "5", pages = "753--768", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Montella:1984:CTA, author = "Nicola Montella and Vincenzo Barone and Giuseppe {Del Re}", title = "Charge transfer in adsorbate-substrate systems: {Extension} of the {Anderson--Newns} treatment to two- and three-dimensional substrates", journal = j-IJQC, volume = "26", number = "5", pages = "769--774", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bourg:1984:PRT, author = "M. Bourg", title = "Preliminary results of a theoretical ab initio model study of adsorption on ionic crystals", journal = j-IJQC, volume = "26", number = "5", pages = "775--781", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pucci:1984:DGE, author = "R. Pucci and M. Baldo and A. Martin-Rodero and G. Piccitto and P. Tomasello", title = "Dimensional and geometrical effects on the electronic structure of polycyclic hydrocarbons", journal = j-IJQC, volume = "26", number = "5", pages = "783--791", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sauer:1984:QCS, author = "Joachim Sauer and Rudolf Zahradn{\'\i}k", title = "Quantum chemical studies on zeolites and silica", journal = j-IJQC, volume = "26", number = "5", pages = "793--822", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260519", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Iadonisi:1984:EHP, author = "Giuseppe Iadonisi and Andrea C. Levi", title = "Electron-hole pair excitation in atom-surface scattering", journal = j-IJQC, volume = "26", number = "5", pages = "823--830", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260520", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Collins:1984:RTM, author = "T. C. Collins and M. Chandrasekhar and M. Seel", title = "A review of a theoretical model of the excitonic superconductivity in {CdS} and {CuCl}", journal = j-IJQC, volume = "26", number = "5", pages = "831--841", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260521", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1984:MBS, author = "John Avery", title = "A model for biological specificity", journal = j-IJQC, volume = "26", number = "5", pages = "843--855", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260522", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hobza:1984:OHE, author = "Pavel Hobza and Rudolf Zahradn{\'\i}k and Janos Ladik", title = "Origin of high efficiency and specificity of biochemical reactions", journal = j-IJQC, volume = "26", number = "5", pages = "857--872", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260523", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paolillo:1984:SFP, author = "L. Paolillo and S. Andini and L. Ferrara and S. Wurzburger", title = "Structure and function of protamines: {An} investigation of clupeine properties by nuclear magnetic resonance", journal = j-IJQC, volume = "26", number = "5", pages = "873--888", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260524", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Temussi:1984:SAR, author = "P. A. Temussi and F. Lelj and T. Tancredi and M. A. Castiglione Morelli and A. Pastore", title = "Soft agonist receptor interactions: {Theoretical} and experimental simulation of the active site of the receptor of sweet molecules", journal = j-IJQC, volume = "26", number = "5", pages = "889--906", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260525", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sandorfy:1984:PPS, author = "C. Sandorfy", title = "The photochemical primary step and the potential in the proton bridge of the chromophore of visual pigments and bacteriorhodopsin", journal = j-IJQC, volume = "26", number = "5", pages = "907--915", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260526", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1984:MPP, author = "John Avery", title = "A model of the primary process in photosynthesis", journal = j-IJQC, volume = "26", number = "5", pages = "917--931", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260527", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Theophanides:1984:MIB, author = "T. Theophanides", title = "Metal ions in biological system", journal = j-IJQC, volume = "26", number = "5", pages = "933--941", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260528", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ricard:1984:DER, author = "Jacques Ricard and Georges Noat", title = "Dynamics of enzyme reactions in solution and in heterogeneous media", journal = j-IJQC, volume = "26", number = "5", pages = "943--953", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260529", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ladik:1984:PPM, author = "J{\'a}nos Ladik and Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek", title = "Probable physical mechanisms of the activation of oncogenes through carcinogens", journal = j-IJQC, volume = "26", number = "5", pages = "955--964", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260530", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "5", pages = "fmi--fmii", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DelRe:1984:I, author = "Giuseppe {Del Re}", title = "Introduction", journal = j-IJQC, volume = "26", number = "5", pages = "v--vi", month = nov, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gutowski:1984:EBS, author = "Maciej Gutowski and Grzegorz Cha{\l}asi{\'n}ski and Jeanne {Van Duijneveldt-Van De Rijdt}", title = "Effective basis sets for calculations of exchange-repulsion energy", journal = j-IJQC, volume = "26", number = "6", pages = "971--982", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1984:MPR, author = "Paul G. Mezey", title = "The metric properties of the reduced nuclear configuration space", journal = j-IJQC, volume = "26", number = "6", pages = "983--985", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1984:SCF, author = "Joseph Oriade", title = "Solution of a correlation function's defining integral equation for complex domains", journal = j-IJQC, volume = "26", number = "6", pages = "987--992", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fratev:1984:CPC, author = "F. Fratev and V. Enchev and P. Karadakov and O. Casta{\~n}o", title = "A classification of polyenes into {$4L + 2$}- and {$4L$}-classes on the basis of {Coulson}'s bond orders and information theory and its application to the interpretation of electrocyclic reactions", journal = j-IJQC, volume = "26", number = "6", pages = "993--1015", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nicolaides:1984:MET, author = "C. A. Nicolaides and Th. Mercouris and Y. Komninos", title = "Many-electron theory of autoionizing states using complex coordinates: {The} position and the partial and total widths of the {Ne$^+$} $1s$ hole state", journal = j-IJQC, volume = "26", number = "6", pages = "1017--1027", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fabbri:1984:SCA, author = "M. Fabbri and L. F. Perondi", title = "Statistical computer-aided calculation of molecular integrals", journal = j-IJQC, volume = "26", number = "6", pages = "1029--1037", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Natiello:1984:CPH, author = "Mario A. Natiello and Gustavo E. Scuseria", title = "Convergence properties of {Hartree--Fock SCF} molecular calculations", journal = j-IJQC, volume = "26", number = "6", pages = "1039--1049", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sen:1984:SES, author = "K. D. Sen", title = "Semiempirical estimates of static multipole polarizabilities for free atoms", journal = j-IJQC, volume = "26", number = "6", pages = "1051--1052", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1984:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "6", pages = "fmi--fmii", month = dec, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wald:1984:LMU, author = "George Wald", title = "Life and mind in the universe", journal = j-IJQC, volume = "26", number = "S11", pages = "1--15", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Fox:1984:MSR, author = "Sidney W. Fox", title = "Molecular selection in the roots of evolved life and mind", journal = j-IJQC, volume = "26", number = "S11", pages = "17--29", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Lowdin:1984:SAR, author = "Per-Olov L{\"o}wdin", title = "Some aspects on the relation between the natural sciences and the human mind: {An} introduction to a panel discussion on the ``origin of life and mind''", journal = j-IJQC, volume = "26", number = "S11", pages = "31--43", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mishra:1984:LSX, author = "R. K. Mishra", title = "The living state. {XIII}. {Does} matter become ``mind''?", journal = j-IJQC, volume = "26", number = "S11", pages = "45--53", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Landsberg:1984:TGP, author = "P. T. Landsberg", title = "Two general problems in quantum biology", journal = j-IJQC, volume = "26", number = "S11", pages = "55--61", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Szent-Gyorgyi:1984:P, author = "Albert Szent-Gy{\"o}rgyi", title = "Protometabolism", journal = j-IJQC, volume = "26", number = "S11", pages = "63--67", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Young:1984:EEO, author = "Richard S. Young", title = "Extraterrestrial exploration and the origin of life", journal = j-IJQC, volume = "26", number = "S11", pages = "69--72", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Stein:1984:MOB, author = "D. L. Stein", title = "A model for the origin of biological information", journal = j-IJQC, volume = "26", number = "S11", pages = "73--86", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Bedian:1984:OGC, author = "Vahe Bedian", title = "The origin of the genetic code", journal = j-IJQC, volume = "26", number = "S11", pages = "87--89", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Dose:1984:SIC, author = "Klaus Dose", title = "Self-instructed condensation of amino acids and the origin of biological information", journal = j-IJQC, volume = "26", number = "S11", pages = "91--101", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Fox:1984:RAA, author = "Sidney W. Fox and Charles R. Windsor", title = "Reproducibility of amino acid compositions in repeated copolymerizations of amino acids", journal = j-IJQC, volume = "26", number = "S11", pages = "103--108", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Findley:1984:GCT, author = "A. M. Findley and G. L. Findley", title = "Genetic coding theory: {Multiple} mitochondrial genetic codes", journal = j-IJQC, volume = "26", number = "S11", pages = "109--116", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Luke:1984:TIR, author = "Brian T. Luke and Abha G. Gupta and Gilda H. Loew and James G. Lawless and David H. White", title = "Theoretical investigation of the role of clay edges in prebiotic peptide bond formation. {I}. {Structures} of acetic acid, glycine, {H$_2$SO$_4$}, {H$_3$PO$_4$}, {Si(OH)$_4$}, and {Al(OH)}", journal = j-IJQC, volume = "26", number = "S11", pages = "117--135", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Randic:1984:NAS, author = "Milan Randi{\'c}", title = "Nonempirical approach to structure--activity studies", journal = j-IJQC, volume = "26", number = "S11", pages = "137--153", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Politzer:1984:HHE, author = "Peter Politzer and Patricia R. Laurence", title = "Halogenated hydrocarbon epoxides: {Factors} underlying biological activity", journal = j-IJQC, volume = "26", number = "S11", pages = "155--166", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Reynolds:1984:ICR, author = "Christopher Reynolds and Colin Thomson", title = "Ab initio calculations relevant to the mechanism of chemical carcinogenesis by {N}-nitrosamines. {I}. {The} nitrosation of amines", journal = j-IJQC, volume = "26", number = "S11", pages = "167--181", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mazurek:1984:TES, author = "Aleksander P. Mazurek and Harel Weinstein and Roman Osman and Sid Topiol and Barbara Jones Ebersole", title = "Theoretical and experimental studies of drug--receptor interactions: {Determinants} for recognition of 5-hydroxytryptamine analogs", journal = j-IJQC, volume = "26", number = "S11", pages = "183--194", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Brandt:1984:IGV, author = "Richard B. Brandt and Jerome Laux and Colin Thomson and Morris A. Johnson and Marvin Gross", title = "Inhibition of glyoxalase {I} in vitro by flavones", journal = j-IJQC, volume = "26", number = "S11", pages = "195--200", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Scheiner:1984:IIA, author = "Steve Scheiner and M. M. Szcz{\k{e}}{\'s}niak", title = "Interactions involving aromatic systems: {Benzene} $+$ acetylene", journal = j-IJQC, volume = "26", number = "S11", pages = "201--208", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Morgan:1984:ESP, author = "Hywel Morgan and Ronald Pethig", title = "Experimental studies of proton transport in hydrated lysozyme and $\alpha$-cyclodextrin", journal = j-IJQC, volume = "26", number = "S11", pages = "209--216", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Gascoyne:1984:AEE, author = "Peter R. C. Gascoyne and Albert Szent-Gy{\"o}rgyi", title = "Anomalous electrochemical and electron spin resonance properties of some biologically relevant methoxyl-substituted quinones", journal = j-IJQC, volume = "26", number = "S11", pages = "217--222", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Suhai:1984:FPC, author = "S. Suhai", title = "First principles charge transfer exciton theory of the {UV} spectrum of {DNA}", journal = j-IJQC, volume = "26", number = "S11", pages = "223--235", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Kluge:1984:PSG, author = "Gert Kluge and Gabriele Kania and Frank Achenbach and Horst Wilde and Igor Novak and Leo Klasinc", title = "Photoelectron spectra and gas phase tautomerism of some pyrazolones", journal = j-IJQC, volume = "26", number = "S11", pages = "237--248", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Rabinowitz:1984:MSE, author = "James R. Rabinowitz", title = "A model for some of the effects of an externally applied electric field on charged membrane constituents", journal = j-IJQC, volume = "26", number = "S11", pages = "249--256", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ray:1984:PDP, author = "Naba K. Ray and Giorgio Bolis and Masayuki Shibata and Robert Rein", title = "Potential derived point charge model study of electrostatic interaction energies in some complexes of water with uracil, thymine, and cytosine", journal = j-IJQC, volume = "26", number = "S11", pages = "257--266", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mezey:1984:HCR, author = "Paul G. Mezey", title = "Hyperspherical coordinate representation of potential surfaces of large molecules", journal = j-IJQC, volume = "26", number = "S11", pages = "267--272", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Furois-Corbin:1984:ENA, author = "Sylvie Furois-Corbin and Bernard Pullman and Richard Lavery", title = "Effect of nucleic acid flexibility upon {ASIF} (accessible surface integrated field). {Possible} significance for biochemical reactivity exemplified by aflatoxin {B$_1$} binding", journal = j-IJQC, volume = "26", number = "S11", pages = "273--286", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Pack:1984:NDC, author = "George R. Pack and C. V. Prasad", title = "New developments in computational polyelectrolyte theory", journal = j-IJQC, volume = "26", number = "S11", pages = "287--299", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mehrotra:1984:MCD, author = "P. K. Mehrotra and M. Mezei and D. L. Beveridge", title = "{Monte Carlo} determination of the internal energies of hydration for the {Ala} dipeptide in the {C$_7$}, {C$_5$}, {$\alpha_R$}, and {P$_{II}$} conformations", journal = j-IJQC, volume = "26", number = "S11", pages = "301--308", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Gascoyne:1984:QAF, author = "Peter R. C. Gascoyne and Jane A. McLaughlin and Ronald Pethig and Albert Szent-Gy{\"o}rgyi and Chiu-Nan Lai and Frederick F. Becker", title = "Quenching of anionic free radicals by normal and transformed cells: {A} probe of phenotypic changes", journal = j-IJQC, volume = "26", number = "S11", pages = "309--314", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Venkatachalam:1984:LGA, author = "C. M. Venkatachalam and S. Alonso-Romanowski and K. U. Prasad and D. W. Urry", title = "The {Leu$^5$} gramicidin {A} analog: {Molecular} mechanics calculations and analysis of single channel steps related to multiplicity of conducting states", journal = j-IJQC, volume = "26", number = "S11", pages = "315--326", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Pohl:1984:EC, author = "Herbert A. Pohl and K. Pollock and H. Rivera", title = "The electrofusion of cells", journal = j-IJQC, volume = "26", number = "S11", pages = "327--345", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Georgian:1984:HDS, author = "T. Georgian and J. M. Halpin and G. L. Findley", title = "{Hamiltonian} dynamics of simple chemical reactions", journal = j-IJQC, volume = "26", number = "S11", pages = "347--353", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sundaralingam:1984:NHR, author = "Muttaiya Sundaralingam and John R. Rubin and John F. Cannon", title = "Nonenzymatic hydrolysis of {RNA}: {Pb(II)}-catalyzed site specific hydrolysis of transfer {RNA}. {The} role of the tertiary folding of the polynucleotide chain", journal = j-IJQC, volume = "26", number = "S11", pages = "355--366", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Pohl:1984:NAF, author = "Herbert A. Pohl", title = "Natural alternating fields associated with living cells", journal = j-IJQC, volume = "26", number = "S11", pages = "367--368", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1984:Ia, author = "Anonymous", title = "Introduction", journal = j-IJQC, volume = "26", number = "S11", pages = "vii--viii", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1984:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "S11", pages = "fmi--fmi", day = "12--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:43 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ohno:1984:PMK, author = "Kimio Ohno", title = "{Professor Masao Kotani}", journal = j-IJQC, volume = "26", number = "S18", pages = "1--9", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Kotani:1984:SRM, author = "Masao Kotani", title = "Scientific reminiscence---my pilgrimage through quantum molecular sciences", journal = j-IJQC, volume = "26", number = "S18", pages = "11--20", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Faxen:1984:IR, author = "Magnus Faxen", title = "Introductory remarks", journal = j-IJQC, volume = "26", number = "S18", pages = "21--24", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Shull:1984:SIR, author = "Harrison Shull", title = "Science and international relations: {Competitive} cooperation", journal = j-IJQC, volume = "26", number = "S18", pages = "25--32", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Obcemea:1984:RTO, author = "Ch. Obcemea", title = "Response theory of open quantum systems", journal = j-IJQC, volume = "26", number = "S18", pages = "33--41", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Matsen:1984:CGS, author = "F. A. Matsen", title = "Canonical generator states and their symmetry adaptation", journal = j-IJQC, volume = "26", number = "S18", pages = "43--56", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Morales:1984:AAO, author = "J. Morales and A. Palma and M. Berrondo", title = "Algebraic approach to one- and two-center harmonic oscillator integrals", journal = j-IJQC, volume = "26", number = "S18", pages = "57--60", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Jones:1984:FTC, author = "Herbert W. Jones", title = "Formulas for three-center exchange integrals by computer implementation of the {L{\"o}wdin} $\alpha$-function method", journal = j-IJQC, volume = "26", number = "S18", pages = "61--66", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Calais:1984:CCW, author = "Jean-Louis Calais and Juan Antonio Cogordan", title = "Charge current waves in a one-dimensional {Coulomb} gas", journal = j-IJQC, volume = "26", number = "S18", pages = "67--76", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mezey:1984:ASQ, author = "Paul G. Mezey", title = "The algebraic structure of quantum-chemical reaction mechanisms", journal = j-IJQC, volume = "26", number = "S18", pages = "77--85", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Brown:1984:GNM, author = "Robert G. Brown and Mikael Ciftan", title = "A generalized non-muffin-tin theory of band structure", journal = j-IJQC, volume = "26", number = "S18", pages = "87--104", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Chelikowsky:1984:TEM, author = "James R. Chelikowsky and Steven G. Louie and David Vanderbilt and C. T. Chan", title = "Total energy method for solids and solid surfaces", journal = j-IJQC, volume = "26", number = "S18", pages = "105--120", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Lobatch:1984:CSC, author = "V. A. Lobatch and A. B. Sobolev and I. R. Rubik and O. E. Taurian and J.-L. Calais", title = "A critical study of the cluster model for ionic crystals", journal = j-IJQC, volume = "26", number = "S18", pages = "121--130", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Laaksonen:1984:TMS, author = "Aatto Laaksonen and Giorgina Corongiu and Enrico Clementi", title = "Theoretical modeling of sodium chloride and related systems. {I}. {The} interaction energies", journal = j-IJQC, volume = "26", number = "S18", pages = "131--140", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Delhalle:1984:ECA, author = "Joseph Delhalle and Joseph G. Fripiat and Frank E. Harris", title = "Evaluation of computational aspects of a modified {CS--LCAO--SCF--CO} strategy for electronic structure calculations of extended model chains", journal = j-IJQC, volume = "26", number = "S18", pages = "141--152", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ihaya:1984:ICO, author = "Y. J. I'haya and S. Narita and Y. Fujita and H. Ujino", title = "Ab initio crystal orbital calculations on {(CH)$_n$} and {(HF)$_n$} with extended basis sets", journal = j-IJQC, volume = "26", number = "S18", pages = "153--159", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Suhai:1984:ECE, author = "S. Suhai", title = "Electron correlation effects on the mechanical and optical properties of polymers", journal = j-IJQC, volume = "26", number = "S18", pages = "161--171", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Salahub:1984:ECA, author = "D. R. Salahub and F. Raatz", title = "Effects of chemisorption and alloying on the magnetism of nickel clusters", journal = j-IJQC, volume = "26", number = "S18", pages = "173--182", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ellis:1984:LDS, author = "D. E. Ellis", title = "Local density studies on transition-metal clusters, surfaces, and the oxide defect state", journal = j-IJQC, volume = "26", number = "S18", pages = "183--193", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Hale:1984:IET, author = "Paul D. Hale and Mark A. Ratner", title = "Intramolecular electron transfer, with bridge assistance and without, in molecules and models", journal = j-IJQC, volume = "26", number = "S18", pages = "195--211", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Logan:1984:FGE, author = "J. Logan and M. D. Newton and J. O. Noell", title = "Factors governing electronic localization in transition metal clusters and complexes", journal = j-IJQC, volume = "26", number = "S18", pages = "213--235", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Paldus:1984:DCC, author = "J. Paldus and M. Takahashi and B. W. H. Cho", title = "Degeneracy and coupled-cluster approaches", journal = j-IJQC, volume = "26", number = "S18", pages = "237--244", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Adamowicz:1984:AGC, author = "L. Adamowicz and W. D. Laidig and R. J. Bartlett", title = "Analytical gradients for the coupled-cluster method", journal = j-IJQC, volume = "26", number = "S18", pages = "245--254", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sekino:1984:LRC, author = "Hideo Sekino and Rodney J. Bartlett", title = "A linear response, coupled-cluster theory for excitation energy", journal = j-IJQC, volume = "26", number = "S18", pages = "255--265", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Stolarczyk:1984:CCM, author = "Leszek Z. Stolarczyk and Hendrik J. Monkhorst", title = "Coupled-cluster method with optimized reference state", journal = j-IJQC, volume = "26", number = "S18", pages = "267--291", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Blinder:1984:GFP, author = "S. M. Blinder", title = "On {Green}'s functions, propagators, and {Sturmians} for the nonrelativistic {Coulomb} problem", journal = j-IJQC, volume = "26", number = "S18", pages = "293--307", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Pickup:1984:SSP, author = "B. T. Pickup and A. Mukhopadhyay", title = "Spin-shift propagators", journal = j-IJQC, volume = "26", number = "S18", pages = "309--319", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Avery:1984:AHC, author = "John Avery and Birte L. Christensen-Dalsgaard and Peter Sommer Larsen and Shen Hengyi", title = "Application of hyperspherical coordinates to the correlation problem", journal = j-IJQC, volume = "26", number = "S18", pages = "321--338", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Deumens:1984:GCA, author = "E. Deumens and L. Lathouwers and P. {Van Leuven} and Y. {\"O}hrn", title = "The generator coordinate approximation for {H$_2$}$^+$", journal = j-IJQC, volume = "26", number = "S18", pages = "339--346", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.56026083", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mele:1984:NIT, author = "E. J. Mele and J. Socolar", title = "Numerical integration of the time evolution operator: {Excited}-state dynamics in conjugated molecules", journal = j-IJQC, volume = "26", number = "S18", pages = "347--358", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Liberman:1984:USO, author = "David A. Liberman", title = "The use of scaled orbital functions in self-consistent field calculations for atoms", journal = j-IJQC, volume = "26", number = "S18", pages = "359--368", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Boucekkine-Yaker:1984:BSE, author = "Gh. Boucekkine-Yaker and A. Boucekkine and G. Berthier", title = "Basis-set effects on calculated molecular magnetic properties", journal = j-IJQC, volume = "26", number = "S18", pages = "369--374", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ishikawa:1984:BSE, author = "Yasuyuki Ishikawa", title = "Basis-set expansion calculations with the {Dirac Hamiltonian}", journal = j-IJQC, volume = "26", number = "S18", pages = "375--383", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Simas:1984:PWA, author = "Alfredo M. Simas and Vedene H. {Smith, Jr.} and Ajit J. Thakkar", title = "Partial-wave analysis of the momentum densities of $14$ electron diatomics", journal = j-IJQC, volume = "26", number = "S18", pages = "385--392", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Adams:1984:EPT, author = "William H. Adams and Meredith M. Clayton and E. E. Polymeropoulos", title = "Exchange perturbation theory calculations of the interaction energy between two ground-state hydrogen atoms", journal = j-IJQC, volume = "26", number = "S18", pages = "393--406", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Duke:1984:SIM, author = "B. J. Duke and Brian O'leary", title = "The simulated ab initio molecular orbital {(SAMO)} method. {VIII}. {A} study of linear polyfluoroethylenes and polychloroethylenes", journal = j-IJQC, volume = "26", number = "S18", pages = "407--432", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Barzaghi:1984:RCR, author = "M. Barzaghi and R. Bianchi and C. Gatti and M. Simonetta", title = "The ring closure reaction in 1,6-methano-[10]annulene", journal = j-IJQC, volume = "26", number = "S18", pages = "433--438", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Cullen:1984:TCB, author = "John M. Cullen and William N. Lipscomb and Michael C. Zerner", title = "The three-center bond model for molecular electronic structure", journal = j-IJQC, volume = "26", number = "S18", pages = "439--448", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Austin:1984:PTS, author = "E. J. Austin", title = "Perturbation theory studies of the hydrogen {Zeeman} effect---preliminary results", journal = j-IJQC, volume = "26", number = "S18", pages = "449--455", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Langhoff:1984:VLI, author = "Stephen R. Langhoff and Charles W. {Bauschlicher, Jr.} and Harry Partridge", title = "On the validity of the {Land{\'e}} interval rule in the alkaline earth atoms", journal = j-IJQC, volume = "26", number = "S18", pages = "457--466", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Beck:1984:FHS, author = "Donald R. Beck and C. A. Nicolaides", title = "Fine and hyperfine structure of the two lowest bound states of {Be$^-$} and their first two ionization thresholds", journal = j-IJQC, volume = "26", number = "S18", pages = "467--481", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Tossell:1984:SMO, author = "J. A. Tossell and J. H. Moore and M. A. Coplan", title = "Studies of molecular orbital momentum distributions by $(e, 2e)$ spectroscopy", journal = j-IJQC, volume = "26", number = "S18", pages = "483--495", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Yamanouch:1984:CIH, author = "Kaoru Yamanouch and Masashi Uematsu and Tamotsu Kondow and Kozo Kuchitsu", title = "Collisional ionization of a highly excited neon atom by vibrational deexcitation of tetramethylsilane and neopentane molecules", journal = j-IJQC, volume = "26", number = "S18", pages = "497--505", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Edwards:1984:SAG, author = "W. Daniel Edwards and N. Yngve {\"O}hrn and Brian L. Weiner and Michael C. Zerner", title = "Semiempirical antisymmetrized geminal power calculation for molecular spectra", journal = j-IJQC, volume = "26", number = "S18", pages = "507--517", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Stroyer-Hansen:1984:FDN, author = "T. Stroyer-Hansen and E. N{\o}rby Svendsen", title = "Frequency-dependent nonresonance {Raman} scattering", journal = j-IJQC, volume = "26", number = "S18", pages = "519--524", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Hameka:1984:FDD, author = "Hendrik F. Hameka and Erik N{\o}rby Svendsen", title = "Frequency dependence of dc electric-field-induced second-harmonic generation", journal = j-IJQC, volume = "26", number = "S18", pages = "525--536", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Cvitas:1984:VSE, author = "T. Cvita{\v{s}} and L. Klasinc and R. McDiarmid", title = "Vibrational structures in the excited states of the ethylene radical cation", journal = j-IJQC, volume = "26", number = "S18", pages = "537--546", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Szczesniak:1984:VSU, author = "K. Szcz{\k{e}}{\'s}niak and M. Szczesniak and M. Nowak and I. Scott and S. Chin and W. B. Person", title = "Vibrational spectra of uracils: {Experimental} infrared matrix studies and ab initio quantum-mechanical calculations", journal = j-IJQC, volume = "26", number = "S18", pages = "547--569", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Nagakura:1984:EMF, author = "Saburo Nagakura and Hisaharu Hayashi", title = "External magnetic field effects upon photochemical reactions", journal = j-IJQC, volume = "26", number = "S18", pages = "571--578", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Callis:1984:TDT, author = "Patrik R. Callis", title = "Transition density topology of the {L$_a$} and {L$_b$} states in indoles and purines", journal = j-IJQC, volume = "26", number = "S18", pages = "579--588", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Green:1984:MMC, author = "A. E. S. Green and R. R. Meyreddy and K. M. Pamidimukkala", title = "A molecular model of coal pyrolysis", journal = j-IJQC, volume = "26", number = "S18", pages = "589--599", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Clementi:1984:PQC, author = "E. Clementi and G. Corongiu and J. Detrich and S. Chin and L. Domingo", title = "Parallelism in quantum chemistry: {Hydrogen} bond study in {DNA} base pairs as an example", journal = j-IJQC, volume = "26", number = "S18", pages = "601--618", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Simas:1984:ACH, author = "Alfredo M. Simas and Janusz Mrozek and Vedene H. {Smith, Jr.}", title = "Appraisal of computer hardware and software for quantum-chemical calculations", journal = j-IJQC, volume = "26", number = "S18", pages = "619--638", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Knop:1984:PPR, author = "J. V. Knop and K. Szymanski and N. Trinajsti{\'c}", title = "Price--performance relationship of microcomputers and main frames for calculations in theoretical chemistry", journal = j-IJQC, volume = "26", number = "S18", pages = "639--645", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Brickmann:1984:RCG, author = "J{\"u}rgen Brickmann", title = "Raster computer graphics in molecular physics", journal = j-IJQC, volume = "26", number = "S18", pages = "647--659", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Barysz:1984:NAC, author = "M. Barysz and N. Trinajsti{\'c}", title = "A novel approach to the characterization of chemical structures", journal = j-IJQC, volume = "26", number = "S18", pages = "661--673", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mezey:1984:NRP, author = "Paul G. Mezey", title = "Network relations on potential surfaces as aids to computer-based quantum-chemical synthesis planning", journal = j-IJQC, volume = "26", number = "S18", pages = "675--681", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Cisneros:1984:AGC, author = "Gerardo Cisneros and H. V. McIntosh and Carlos F. Bunge", title = "Automatic generation of configuration interaction {Hamiltonian} matrix elements", journal = j-IJQC, volume = "26", number = "S18", pages = "683--689", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Kresin:1984:CRQ, author = "V. Z. Kresin and W. A. {Lester, Jr.} and M. Dupuis and C. E. Dateo", title = "Chemical reaction as a quantum transition", journal = j-IJQC, volume = "26", number = "S18", pages = "691--700", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Corongiu:1984:MCL, author = "J. Detrich G. Corongiu and E. Clementi", title = "{Monte Carlo} liquid water simulations with four-body interactions included", journal = j-IJQC, volume = "26", number = "S18", pages = "701--707", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Reynolds:1984:QMC, author = "P. J. Reynolds and R. N. Barnett and W. A. {Lester, Jr.}", title = "Quantum {Monte Carlo} study of the classical barrier height for the {H} $+$ {H$_2$} exchange reaction: {Restricted} versus unrestricted trial functions", journal = j-IJQC, volume = "26", number = "S18", pages = "709--717", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Hermann:1984:SOM, author = "M. R. Hermann and G. H. F. Diercksen and B. W. Fatyga and P. W. Langhoff", title = "{Stieltjes} orbitals for molecular photoexcitation and ionization spectra: {N $\rightarrow$ V$_\sigma$} and {N $\rightarrow$ V$_\pi$} resonance features in {CO} and {H$_2$CO} cross sections", journal = j-IJQC, volume = "26", number = "S18", pages = "719--734", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Weatherford:1984:EMP, author = "Charles A. Weatherford", title = "Electron--molecule potentials using the {Gegenbauer} addition theorem", journal = j-IJQC, volume = "26", number = "S18", pages = "735--735", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Baraff:1984:PDS, author = "G. A. Baraff and M. Schluter", title = "Point defects in semiconductors with strong electron-lattice coupling", journal = j-IJQC, volume = "26", number = "S18", pages = "737--737", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1984:Ib, author = "Anonymous", title = "Introduction", journal = j-IJQC, volume = "26", number = "S18", pages = "iii--iv", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1984:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "26", number = "S18", pages = "fmi--fmi", day = "1--15", month = mar, year = "1984", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560260801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:04:53 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Atomic, Molecular and Solid-State Theory, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Lien:1985:TSC, author = "Min H. Lien and Alan C. Hopkinson", title = "A theoretical study of {C$_4$H$_5$N} isomers: {Comparison} of cyano and isocyano as substituents", journal = j-IJQC, volume = "27", number = "1", pages = "1--10", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Varracchio:1985:FTC, author = "E. Ficocelli Varracchio", title = "Field theory of chemical reactions. {I}. {Ideal} space representation of {$A + BC \rightarrow AC + B$} processes", journal = j-IJQC, volume = "27", number = "1", pages = "11--44", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kotzev:1985:IFT, author = "J. N. Kotzev and M. I. Aroyo and M. N. Angelova", title = "Isoscalar factors for tetragonal, orthorhombic, monoclinic and triclinic {Shubnikov} point groups", journal = j-IJQC, volume = "27", number = "1", pages = "45--58", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duch:1985:EMC, author = "W. Duch", title = "Efficient method for computation of representation matrices of the unitary group generators", journal = j-IJQC, volume = "27", number = "1", pages = "59--70", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Petke:1985:IQM, author = "J. D. Petke and Paul Butler and Gerald M. Maggiora", title = "Ab initio quantum-mechanical characterization of the electronic states of anthraquinone, quinizarin, and 1,4-diamino anthraquinone", journal = j-IJQC, volume = "27", number = "1", pages = "71--87", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taylor:1985:SOM, author = "Peter R. Taylor", title = "Symmetrization of operator matrix elements", journal = j-IJQC, volume = "27", number = "1", pages = "89--96", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1985:WLA, author = "Joseph Oriade", title = "Warped linear analytic tetrahedral scheme for {Brillouin} zone integrations", journal = j-IJQC, volume = "27", number = "1", pages = "97--101", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leroy:1985:BRB, author = "Georges Leroy", title = "Book Review: {{\booktitle{Information theoretic indices for characterization of chemical structures}}. By Danail Bonchev, Wiley, New York, 1983}", journal = j-IJQC, volume = "27", number = "1", pages = "103--103", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Bonchev:1983:ITI}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Charbonneau:1985:A, author = "K. Charbonneau", title = "Announcement", journal = j-IJQC, volume = "27", number = "1", pages = "105--105", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "27", number = "1", pages = "fmi--fmii", month = jan, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oriade:1985:BZD, author = "J. O. O. Oriade", title = "{Brillouin} zone double integrals", journal = j-IJQC, volume = "27", number = "2", pages = "109--113", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abu-Eittah:1985:ESP, author = "Rafie Abu-Eittah and Rifaat Hilal and Hussein Moustafa", title = "Electronic structure of the peptide linkage. {II}. {A} molecular orbital treatment of the electronic spectra of benzohydroxamic acids", journal = j-IJQC, volume = "27", number = "2", pages = "115--133", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Patnaik:1985:CPD, author = "Lalit N. Patnaik and Sarojini Das", title = "Conformation of p-dimethylaminobenzylidene-p-nitroaniline, p-nitrobenzylidene-p-dimethylaminoaniline, their stilbene and azobenzene derivatives", journal = j-IJQC, volume = "27", number = "2", pages = "135--144", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baker:1985:ESP, author = "Jon Baker", title = "{EOM \slash Propagator} ionization potentials: {Effect} of an extended operator manifold on the predicted valence-shell ionization spectra of ethane, ethylene, and acetylene", journal = j-IJQC, volume = "27", number = "2", pages = "145--157", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smet:1985:TQEa, author = "F. Smet and A. {Van Groenendael}", title = "Sur la th{\'e}orie quantique des {\'e}quations de {Hartree--Fock} d{\'e}pendant du temps. {III}. {D{\'e}termination} d'un ensemble unique de spin orbitales. ({French}) [{On} the quantum theory of time-dependent {Hartree--Fock} equations. {III}. Determination of a unique set of spin orbitals]", journal = j-IJQC, volume = "27", number = "2", pages = "159--166", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Smet:1985:TQEb, author = "F. Smet and A. {Van Groenendael}", title = "Sur la th{\'e}orie quantique des {\'e}quations de {Hartree--Fock} d{\'e}pendant du temps. {IV}. {Expression} matricielle du tenseur d'hyperpolarisabilit{\'e} ({French}) [{On} the quantum theory of time-dependent {Hartree--Fock} equations. {IV}. {Matrix} expression for the hyperpolarizabilty tensor]", journal = j-IJQC, volume = "27", number = "2", pages = "167--171", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Delgado-Barrio:1985:VPH, author = "G. Delgado-Barrio and P. Villarreal and P. Mareca and J. A. Beswick", title = "Vibrational predissociation of highly vibrationally excited {van der Waals} molecules: a quantal close-coupling calculation", journal = j-IJQC, volume = "27", number = "2", pages = "173--180", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaliannan:1985:AEP, author = "P. Kaliannan and S. Vishveshwara and V. S. R. Rao", title = "Anomeric effect in phosphate moieties of carbohydrates: {An Ab} initio study", journal = j-IJQC, volume = "27", number = "2", pages = "181--194", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Flurry:1985:ASS, author = "R. L. {Flurry, Jr.}", title = "Approximate symmetries in the singly excited states of helium", journal = j-IJQC, volume = "27", number = "2", pages = "195--202", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ulmer:1985:UTK, author = "W. Ulmer", title = "On a unified treatment of kinetics and diffusion, and a connection to a nonlocal {Boltzmann} equation", journal = j-IJQC, volume = "27", number = "2", pages = "203--218", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Delhalle:1985:ACS, author = "Joseph Delhalle and Frank E. Harris", title = "An alternative computational strategy for direct space {Hartree--Fock} calculations on extended model chains", journal = j-IJQC, volume = "27", number = "2", pages = "219--229", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sen:1985:EEE, author = "K. D. Sen", title = "Empirical estimates of electrostatic potentials at the nuclei in molecules", journal = j-IJQC, volume = "27", number = "2", pages = "231--232", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Deng:1985:MHF, author = "Conghao Deng", title = "The modified {Hartree--Fock} self-consistent field equation", journal = j-IJQC, volume = "27", number = "2", pages = "233--234", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "27", number = "2", pages = "fmi--fmii", month = feb, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1985:CIR, author = "M. Fern{\'a}ndez and P. G{\'o}amez and P. Serna", title = "Calculation of internal rotation spectra of three molecules with increasing asymmetry factors", journal = j-IJQC, volume = "27", number = "3", pages = "235--244", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hiberty:1985:VBDa, author = "P. C. Hiberty and G. Ohanessian", title = "The valence bond description of conjugated molecules i. {SCF} level", journal = j-IJQC, volume = "27", number = "3", pages = "245--257", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hiberty:1985:VBDb, author = "P. C. Hiberty and G. Ohanessian", title = "The valence bond description of conjugated molecules. {II}. {A} very simple method to approximate the structural weights of a fully correlated valence bond wavefunction", journal = j-IJQC, volume = "27", number = "3", pages = "259--272", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Linderberg:1985:KEF, author = "Jan Linderberg and Yngve {\"O}hrn", title = "Kinetic energy functional in hyperspherical coordinates", journal = j-IJQC, volume = "27", number = "3", pages = "273--280", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1985:ISF, author = "A. M. Sapse and Duli C. Jain", title = "Ab initio studies of {F$^-$ (H$_2$O)$_n$} and {Cl$^-$ (H$_2$O)$_n$} clusters for $n = 1, 2$", journal = j-IJQC, volume = "27", number = "3", pages = "281--292", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Contreras:1985:STC, author = "Renato Contreras and Arie Aizman", title = "On the {SCF} theory of continuum solvent effects representation: {Introduction} of local dielectric effects", journal = j-IJQC, volume = "27", number = "3", pages = "293--301", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mishra:1985:IBP, author = "R. K. Mishra and S. K. Dubey and R. S. Tyagi", title = "Interaction between photons, ``trapped electron'' and vibronic excitation", journal = j-IJQC, volume = "27", number = "3", pages = "303--321", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bohm:1985:TIE, author = "Michael C. B{\"o}hm", title = "A theoretical investigation of electron correlation and relaxation in organometallic polymers", journal = j-IJQC, volume = "27", number = "3", pages = "323--374", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "27", number = "3", pages = "fmi--fmii", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:46 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{FerreiraDaSilva:1985:HMT, author = "A. {Ferreira Da Silva} and M. Fabbri", title = "The hydrogen molecule for a two-dimensional system", journal = j-IJQC, volume = "27", number = "4", pages = "375--379", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See erratum \cite{FerreiraDaSilva:1985:EHM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bickerstaff:1985:NSC, author = "R. P. Bickerstaff and T. Damhus", title = "A necessary and sufficient condition for the existence of real coupling coefficients for a finite group", journal = j-IJQC, volume = "27", number = "4", pages = "381--391", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zorita:1985:LBK, author = "M. L. Zorita and J. A. Alonso and L. C. Balbas", title = "Local behavior of the kinetic energy in density functional theory", journal = j-IJQC, volume = "27", number = "4", pages = "393--406", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zhang:1985:SEE, author = "Qi-Yuan Zhang and Ji-Min Yan", title = "Structure of the electronic energy bands of molecular crystal {NMP-TCNQ}", journal = j-IJQC, volume = "27", number = "4", pages = "407--416", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{VanGroenendael:1985:UALa, author = "Augustin {Van Groenendael}", title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$ {\'e}tats. {IV}. {Geometrie} du domaine des vecteurs de coh{\'e}rence. ({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in the study of quantum systems of $n$ states. {IV}. {Geometry} of the domain of coherence vectors]", journal = j-IJQC, volume = "27", number = "4", pages = "417--425", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Ray:1985:PDP, author = "Naba K. Ray and Masayuki Shibata and Giorgio Bolis and Robert Rein", title = "Potential-Derived point-charge model study of electrostatic interaction energies in some hydrogen-bonded systems", journal = j-IJQC, volume = "27", number = "4", pages = "427--437", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ugalde:1985:AAE, author = "J. M. Ugalde and Russell J. Boyd", title = "Angular aspects of exchange correlation and the {Fermi} hole", journal = j-IJQC, volume = "27", number = "4", pages = "439--449", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Casida:1985:WDL, author = "Mark Casida", title = "What do local energy maps tell about local error?", journal = j-IJQC, volume = "27", number = "4", pages = "451--460", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schulz:1985:RIF, author = "Joachim Schulz and R{\"u}diger Iffert and Karl Jug", title = "On the rotational invariance of the {Fock} equations in {INDO} methods using $d$ functions", journal = j-IJQC, volume = "27", number = "4", pages = "461--464", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yan:1985:EST, author = "Ji-Min Yan and Jian-Guo Zhao", title = "Electronic structures of the $\pi$-$\pi$ type charge-transfer complexes of pyridine with boron trihalides", journal = j-IJQC, volume = "27", number = "4", pages = "465--473", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lunell:1985:HFC, author = "Sten Lunell and Per {\"O}ster", title = "{Hartree--Fock} calculations on quartet $s$, $p$, $d$, and $f$ states of boron {III}", journal = j-IJQC, volume = "27", number = "4", pages = "475--479", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Iijima:1985:NCM, author = "Naoto Iijima and A. Saika", title = "A note on the convergence of multiconfigurational many-body perturbation theory", journal = j-IJQC, volume = "27", number = "4", pages = "481--493", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1985:ACL, author = "Per-Olov L{\"o}wdin", title = "Approximate calculation of lifetimes of resonance states in the continuum from real stabilization graphs", journal = j-IJQC, volume = "27", number = "4", pages = "495--500", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "27", number = "4", pages = "fmi--fmii", month = apr, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panin:1985:BLA, author = "A. I. Panin", title = "``Basis'' {Lie} algebra of electronic {Fock} space: {Application} to evaluation of matrix elements of spin tensor operators", journal = j-IJQC, volume = "27", number = "5", pages = "501--525", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pipek:1985:COL, author = "J. Pipek", title = "Controlled orthogonalization of localized orbitals", journal = j-IJQC, volume = "27", number = "5", pages = "527--546", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Murthy:1985:CFM, author = "A. S. N. Murthy and Shoba Ranganathan", title = "Compliant fields for molecular interactions: {Water} dimer and formic acid dimer", journal = j-IJQC, volume = "27", number = "5", pages = "547--557", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laszlo:1985:OPD, author = "I. L{\'a}szl{\'o}", title = "One-Parameter double-zeta atomic functions for the {Hartree--Fock} energies of helium isoelectronic sequence", journal = j-IJQC, volume = "27", number = "5", pages = "559--565", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Les:1985:TST, author = "A. Le{\'s} and I. Ortega-Blake", title = "A theoretical study of tautomerism: 2- and 4-oxopyrimidine and some of their derivatives", journal = j-IJQC, volume = "27", number = "5", pages = "567--583", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Becke:1985:LEC, author = "A. D. Becke", title = "Local exchange-correlation approximations and first-row molecular dissociation energies", journal = j-IJQC, volume = "27", number = "5", pages = "585--594", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{March:1985:RTE, author = "N. H. March", title = "Relativistic total energy of heavy atomic ions: {Dimensionality} dependent scaling", journal = j-IJQC, volume = "27", number = "5", pages = "595--599", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laaksonen:1985:TDF, author = "Leif Laaksonen and Dage Sundholm and Pekka Pyykk{\"o}", title = "Two-dimensional, fully numerical molecular calculations. {IV}. {Hartree--Fock--Slater} results on second-row diatomic molecules", journal = j-IJQC, volume = "27", number = "5", pages = "601--612", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Golebiewski:1985:NCB, author = "A. Go{\l}{\k{e}}biewski and E. Broclawik", title = "New concepts in bonded functions theory. {I}. Alternative way of matrix elements evaluation", journal = j-IJQC, volume = "27", number = "5", pages = "613--623", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ventura:1985:CBH, author = "Oscar N. Ventura and J. Paolo Bartolucci and Ram{\'o}n M. Sosa", title = "{He$^{2+}_2$}: a comparison between {Hartree--Fock} and density functional techniques", journal = j-IJQC, volume = "27", number = "5", pages = "625--635", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1985:BRB, author = "Hans {\AA}gren", title = "Book Review: {{\booktitle{Quantum chemistry: The development of ab initio methods in molecular electronic structure theory}}. By Henry F. Schaeffer, Clarendon press, Oxford, England, 1984}", journal = j-IJQC, volume = "27", number = "5", pages = "637--637", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "27", number = "5", pages = "fmi--fmii", month = may, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Preiskorn:1985:MEM, author = "Aleksandra Preiskorn and Bronislaw {\.Z}urawski", title = "Many-Electron, multicenter integrals in superposition of correlated configurations method. {I}. One- and two-electron integrals", journal = j-IJQC, volume = "27", number = "6", pages = "641--651", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mestechkin:1985:NMO, author = "M. M. Mestechkin", title = "Numerical method for the open-shell restricted {Hartree--Fock} density-matrix direct calculation", journal = j-IJQC, volume = "27", number = "6", pages = "653--664", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jankowski:1985:ECE, author = "K. Jankowski and P. Malinowski and A. Soko{\l}owski and I. Lindgren and A.-M. M{\aa}rtensson-Pendrill", title = "Electron correlation effects in the 4 f$^{14}$ shell", journal = j-IJQC, volume = "27", number = "6", pages = "665--675", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fraczak:1985:SRA, author = "Marek Fraczak", title = "Statistical representation of atomic systems structure. {II}. classification of the representation; entropy dependence of the total energy for isoelectronic series", journal = j-IJQC, volume = "27", number = "6", pages = "677--689", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Slanina:1985:LBP, author = "Zden{\v{e}}k Slanina", title = "Limiting behavior of partition functions of models with quadratically dependent energy spectra and consequences regarding theoretical study of chemical reactivity", journal = j-IJQC, volume = "27", number = "6", pages = "691--697", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karadakov:1985:EPT, author = "Peter Karadakov", title = "An extension of the pairing theorem", journal = j-IJQC, volume = "27", number = "6", pages = "699--707", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grudzinski:1985:RCG, author = "Hubert Grudzi{\'n}ski", title = "{$N$}-representability conditions generated by a one-particle {Grassmann} factor of an antisymmetric function", journal = j-IJQC, volume = "27", number = "6", pages = "709--730", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chen:1985:CDP, author = "Min-Bo Chen and Robert G. Parr", title = "A constant-denominator perturbation theory using circulant orbitals", journal = j-IJQC, volume = "27", number = "6", pages = "731--741", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Almlof:1985:MPP, author = "Jan Alml{\"o}f and Peter R. Taylor", title = "Molecular properties from perturbation theory: {A Unified} treatment of energy derivatives", journal = j-IJQC, volume = "27", number = "6", pages = "743--768", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weiner:1985:AGP, author = "Brian Weiner and Henry A. Kurtz", title = "The antisymmetrized geminal power approximation to the excitation propagator", journal = j-IJQC, volume = "27", number = "6", pages = "769--780", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Heidrich:1985:ICH, author = "D. Heidrich and H.-J. K{\"o}hler and D. Volkmann", title = "Ab initio calculations on {H} transfer in the {HF} trimer", journal = j-IJQC, volume = "27", number = "6", pages = "781--786", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gould:1985:UGA, author = "M. D. Gould and G. S. Chandler", title = "Unitary group approach to the many-electron problem. {I}, {II}, {III}", journal = j-IJQC, volume = "27", number = "6", pages = "787--801", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brown:1985:GNM, author = "Robert G. Brown and Mikael Ciftan", title = "A generalized non-muffin-tin theory of band structure", journal = j-IJQC, volume = "27", number = "6", pages = "803--804", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See erratum \cite{Brown:1985:EGN}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "27", number = "6", pages = "fmi--fmii", month = jun, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560270601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grossman:1985:COM, author = "Stuart C. Grossman", title = "Chemical ordering of molecules: a graph theoretical approach to structure-property studies", journal = j-IJQC, volume = "28", number = "1", pages = "1--16", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zasukha:1985:TME, author = "V. A. Zasukha and S. V. Volkov", title = "Theory and mechanism of electron transfer in a condensed medium at high temperatures with allowance for change in vibrational frequencies", journal = j-IJQC, volume = "28", number = "1", pages = "17--26", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karwowski:1985:GSE, author = "J. Karwowski and J. Styszy{\'n}ski", title = "Ground-state energies of closed-shell atoms", journal = j-IJQC, volume = "28", number = "1", pages = "27--37", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hariharan:1985:IMS, author = "P. C. Hariharan and Joyce J. Kaufman and Alfred H. Lowrey and Richard S. Miller", title = "Ab initio {MODPOT} \slash {VRDDO} \slash {MERGE} calculations on energetic compounds. {IV}. {Nitrocubanes}: {Mononitro} to octanitro quantum chemical calculations and electrostatic molecular potential contour maps", journal = j-IJQC, volume = "28", number = "1", pages = "39--59", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weiner:1985:CPA, author = "Brian Weiner", title = "Consistent propagator approximations", journal = j-IJQC, volume = "28", number = "1", pages = "61--84", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kinoshita:1985:VCM, author = "Dina L. Kinoshita and Luiz G. Ferreira and Manoel L. {De Siqueira}", title = "Variational cellular method for polyatomic molecules: {SF$_6$}", journal = j-IJQC, volume = "28", number = "1", pages = "85--101", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaldor:1985:CNM, author = "Uzi Kaldor", title = "Can nondegenerate many-body perturbation theory {Be} applied to quasidegenerate electronic states?", journal = j-IJQC, volume = "28", number = "1", pages = "103--108", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brickmann:1985:MSN, author = "J{\"u}rgen Brickmann and Paul Hofmann and Peter C. Schmidt", title = "Measures of stochasticity for nonstationary initial preparations of coupled oscillators", journal = j-IJQC, volume = "28", number = "1", pages = "109--134", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cisneros:1985:PDR, author = "Arturo Cisneros and Harold V. McIntosh", title = "A proposed definition of resonant states", journal = j-IJQC, volume = "28", number = "1", pages = "135--159", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "1", pages = "fmi--fmii", month = jul, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Heaton:1985:IQM, author = "M. M. Heaton and D. Mills", title = "Ab initio quantum-mechanical calculations on trifluoromethylamine", journal = j-IJQC, volume = "28", number = "2", pages = "163--180", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katriel:1985:GDI, author = "J. Katriel and J. Paldus and R. Pauncz", title = "Generalized {Dirac} identities and explicit relations between the permutational symmetry and the spin operators for systems of identical particles", journal = j-IJQC, volume = "28", number = "2", pages = "181--202", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Igawa:1985:MSP, author = "Akira Igawa", title = "An {MC-SCF} procedure using an orthogonal transformation represented by a direct sum of two-by-two rotations", journal = j-IJQC, volume = "28", number = "2", pages = "203--211", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kibler:1985:ELP, author = "Maurice Kibler and Genevi{\`e}ve Grenet", title = "Energy levels of paramagnetic ions: {Algebra}. {III}. {The} case of {d$^N$} ions in cubical symmetry", journal = j-IJQC, volume = "28", number = "2", pages = "213--232", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pilarski:1985:RBEa, author = "Bogus{\l}aw Pilarski and Krzysztof O{\'s}mia{\l}owski and Roman Kaliszan", title = "The relationship between electron densities and the electronic substituent constants for substituted pyridines", journal = j-IJQC, volume = "28", number = "2", pages = "233--237", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pilarski:1985:RBEb, author = "Bogus{\l}aw Pilarski and Krzysztof O{\'s}Mia{\l}owski", title = "The relationship between electron densities and the p {K$_a$} values in a series of methylpyrazines", journal = j-IJQC, volume = "28", number = "2", pages = "239--244", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Huber:1985:EVR, author = "Daniel Huber", title = "Energies of vibrating and rotating molecules by ladder operators", journal = j-IJQC, volume = "28", number = "2", pages = "245--267", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{VanGroenendael:1985:UALb, author = "Augustin {Van Groenendael} and Jacques Tillieu", title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$ {\'e}tats. {V}. {Application} aux syst{\`e}mes compos{\'e}s. ({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in the study of quantum systems of $n$ states. {V}. {Application} to composite systems]", journal = j-IJQC, volume = "28", number = "2", pages = "269--286", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Schmelzer:1985:GAE, author = "A. Schmelzer and J. N. Murrell", title = "The general analytic expression for {S$_4$}-symmetry-invariant potential functions of tetra-atomic homonuclear molecules", journal = j-IJQC, volume = "28", number = "2", pages = "287--295", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jeziorek:1985:TIH, author = "Danuta Jeziorek and Bronis{\l}aw {\.Z}urawski", title = "Theoretical investigation of the {Na$^+$} + {H$_2$} system. {I}. {Ab} initio calculations including electron correlations of potential energy hypersurface", journal = j-IJQC, volume = "28", number = "2", pages = "297--309", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gadre:1985:MAI, author = "Shridhar R. Gadre and Rajeev D. Bendale", title = "Maximization of atomic information-entropy sum in configuration and momentum spaces", journal = j-IJQC, volume = "28", number = "2", pages = "311--314", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "2", pages = "fmi--fmii", month = aug, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ghose:1985:MOS, author = "Arup K. Ghose and Gordon M. Crippen", title = "Molecular orbital study of the ring nitrogen basicity of various dihydrofolate reductase inhibitors", journal = j-IJQC, volume = "28", number = "3", pages = "315--334", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Born:1985:CEP, author = "Gregory Born", title = "Correlated electron propagator theory and applications for open-shell atoms and molecules", journal = j-IJQC, volume = "28", number = "3", pages = "335--348", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1985:MIA, author = "Kazuhiro Ishida", title = "Molecular integrals arising in the use of the {Hiller--Sucher--Feinberg--Harriman} identity for describing the {Fermi}-contact interaction", journal = j-IJQC, volume = "28", number = "3", pages = "349--373", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Piecuch:1985:SST, author = "Piotr Piecuch", title = "Supplement to spherical tensor theory of long-range interactions between two molecules", journal = j-IJQC, volume = "28", number = "3", pages = "375--386", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1985:CTG, author = "Paul G. Mezey", title = "A comparison of two group theoretical models of reaction mechanisms on potential surfaces", journal = j-IJQC, volume = "28", number = "3", pages = "387--398", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sarai:1985:TSI, author = "Akinori Sarai and Minoru Saito", title = "Theoretical studies on the interaction of proteins with base pairs. {II}. {Effect} of external {H}-bond interactions on the stability of guanine--cytosine and {non-Watson--Crick} pairs", journal = j-IJQC, volume = "28", number = "3", pages = "399--409", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jasien:1985:FDC, author = "Paul G. Jasien and Clifford E. Dykstra", title = "First derivatives of correlated wave functions by a matrix-oriented method: {Preliminary} application to molecular dipole and quadrupole moments", journal = j-IJQC, volume = "28", number = "3", pages = "411--417", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1985:BOV, author = "I. Mayer", title = "Bond order and valence: {Relations} to {Mulliken}'s population analysis", journal = j-IJQC, volume = "28", number = "3", pages = "419--419", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "3", pages = "fmi--fmii", month = sep, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:47 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gomez-Jeria:1985:QCS, author = "J. S. Gomez-Jeria and D. Morales-Lagos and J. I. Rodriguez-Gatica and J. C. Saavedra-Aguilar", title = "Quantum-chemical study of the relation between electronic structure and {pA$_2$} in a series of 5-substituted tryptamines", journal = j-IJQC, volume = "28", number = "4", pages = "421--428", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Regier:1985:GVS, author = "Philip E. Regier and Jacob Fisher and B. S. Sharma and Ajit J. Thakkar", title = "{Gaussian} vs. {Slater} representations of $d$ orbitals: {An} information theoretic appraisal based on both position and momentum space properties", journal = j-IJQC, volume = "28", number = "4", pages = "429--449", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Kulkarni:1985:EHI, author = "Anil D. Kulkarni and S. A. Alexander and F. A. Matsen", title = "Effect of {Hubbard} interaction on solitonic excitations in polyacetylene", journal = j-IJQC, volume = "28", number = "4", pages = "451--457", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Takahashi:1985:BLA, author = "M. Takahashi and J. Paldus", title = "Bond length alternation in cyclic polyenes. {VI}. {Coupled} cluster approach with {Wannier} orbital basis", journal = j-IJQC, volume = "28", number = "4", pages = "459--479", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Balasubramanian:1985:SPS, author = "K. Balasubramanian and M. Rand{\'\i}c", title = "Spectral polynomials of systems with general interactions", journal = j-IJQC, volume = "28", number = "4", pages = "481--498", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Gianturco:1985:CTR, author = "F. A. Gianturco and A. Palma and V. T. Lamanna and G. Petrella", title = "Collisional transfer of rovibrational energy from quantum calculations. {II}. {The} case of {LiH} with {He}", journal = j-IJQC, volume = "28", number = "4", pages = "499--516", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Lesyng:1985:ICB, author = "Bogdan Lesyng and Christian Marck and Wilhelm Guschlbauer", title = "Ab initio calculations on the barrier to pseudorotation of model $2^\prime$-deoxyfuranose and $2^\prime$-deoxy-$2^\prime$-fluorofuranose rings", journal = j-IJQC, volume = "28", number = "4", pages = "517--523", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Wilson:1985:ANM, author = "S. Wilson and K. Jankowski and J. Paldus", title = "Applicability of nondegenerate many-body perturbation theory to quasi-degenerate electronic states. {II}. {A} two-state model", journal = j-IJQC, volume = "28", number = "4", pages = "525--534", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Thole:1985:LSN, author = "B. T. Thole", title = "Least-squares numerical {Rayleigh--Ritz} and minimum-variance methods for molecular calculations", journal = j-IJQC, volume = "28", number = "4", pages = "535--551", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Anonymous:1985:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "4", pages = "fmi--fmi", month = oct, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Staemmler:1985:ASP, author = "V. Staemmler and F. A. Gianturco", title = "Adiabatic {SCF} potential energy curves relevant to proton--oxygen molecular collisions", journal = j-IJQC, volume = "28", number = "5", pages = "553--564", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Banerjee:1985:IAA, author = "Manas Banerjee and Sankar Prasad Bhattacharyya", title = "The {INDO\slash 2-AHP} (average hole potential) method for excited states: {Comparison} with the simple {INDO\slash 2-HP} (hole potential) method", journal = j-IJQC, volume = "28", number = "5", pages = "565--571", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yi:1985:ESF, author = "Xiao Yi and Chen Run-Sheng", title = "Effect of some factors on the energy band structure of proteins", journal = j-IJQC, volume = "28", number = "5", pages = "573--579", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hashimoto:1985:LDO, author = "Katsufumi Hashimoto", title = "Length dependence of the optical transition energies of the exactly solvable {Hubbard} model for linear polyenes", journal = j-IJQC, volume = "28", number = "5", pages = "581--591", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vojtik:1985:SAD, author = "Jan Vojt{\'\i}k", title = "Symmetry aspects of diatomics-in-molecules {(DIM)} calculations: {Construction} of spin-adapted bases", journal = j-IJQC, volume = "28", number = "5", pages = "593--601", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1985:PCH, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "Perturbation calculation on the hydrogen atom in electric and magnetic fields", journal = j-IJQC, volume = "28", number = "5", pages = "603--607", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wormer:1985:MEB, author = "Paul E. S. Wormer", title = "Matrix elements between spin-bonded functions in a hole-particle formalism", journal = j-IJQC, volume = "28", number = "5", pages = "609--630", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Murphy:1985:OIA, author = "William C. Murphy and Thomas F. George", title = "Overlap integrals for atom--metal surface interactions", journal = j-IJQC, volume = "28", number = "5", pages = "631--639", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yang:1985:ROT, author = "Cao Yang", title = "The role of $d$ orbitals in tetrahedral hybrid orbitals of oxy-ions", journal = j-IJQC, volume = "28", number = "5", pages = "641--648", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Glass:1985:TAE, author = "R. Glass", title = "Theoretical approach to the evaluation of spin-only magnetic form factors for many-electron atomic systems", journal = j-IJQC, volume = "28", number = "5", pages = "649--660", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{FerreiraDaSilva:1985:EHM, author = "A. {Ferreira Da Silva} and M. Fabbri", title = "Erratum: {The hydrogen molecule for a two-dimensional system}", journal = j-IJQC, volume = "28", number = "5", pages = "661--661", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{FerreiraDaSilva:1985:HMT}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "28", number = "5", pages = "663--663", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "5", pages = "fmi--fmii", month = nov, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cizek:1985:IPP, author = "J. Cizek and E. R. Vrscay", title = "Inner projection with and without perturbation theory: {The} anharmonic oscillator revisited and the quadratic {Zeeman} effect in ground-state hydrogen", journal = j-IJQC, volume = "28", number = "6", pages = "665--686", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sordo:1985:QTH, author = "J. A. Sordo and L. Pueyo", title = "A quality test for the {Hartree--Fock--Roothaan SCF} wave functions", journal = j-IJQC, volume = "28", number = "6", pages = "687--690", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Muller-Remmers:1985:OCDa, author = "Peter L. M{\"u}ller-Remmers and Karl Jug", title = "Orbital correlation diagrams based on multiconfigurational variation of moments {I}. {Theory}", journal = j-IJQC, volume = "28", number = "6", pages = "691--701", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Muller-Remmers:1985:OCDb, author = "Peter L. M{\"u}ller-Remmers and Karl Jug", title = "Orbital correlation diagrams based on multiconfigurational variation of moments {II}. {Application}", journal = j-IJQC, volume = "28", number = "6", pages = "703--713", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hilal:1985:EST, author = "Rifaat Hilal", title = "On the electronic structure of transition-metal complexes {II}. {Bonding} characteristics in titanium chloride systems", journal = j-IJQC, volume = "28", number = "6", pages = "715--721", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jaiswal:1985:EIO, author = "P. S. Jaiswal and S. Lahiry", title = "On the evaluation of the integral $$ occurring in covalency reduction factor", journal = j-IJQC, volume = "28", number = "6", pages = "723--729", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abu-Eittah:1985:MOT, author = "Rafie H. Abu-Eittah and Maher M. Hamed and Abdullah Nigm and Adel El-Azhary", title = "Molecular-orbital treatment of some heterocycles with three hetero-atoms and their benzo-derivatives", journal = j-IJQC, volume = "28", number = "6", pages = "731--740", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karwowski:1985:QM, author = "J. Karwowski and J. Kobus", title = "Quasirelativistic methods", journal = j-IJQC, volume = "28", number = "6", pages = "741--756", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gresh:1985:CLI, author = "N. Gresh and A. Pullman and P. Claverie", title = "Cation--ligand interactions: {Reproduction} of extended basis set {Ab} initio {SCF} computations by the {SIBFA} 2 additive procedure", journal = j-IJQC, volume = "28", number = "6", pages = "757--771", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rawlings:1985:TIE, author = "Diane C. Rawlings and Martin Gouterman and Ernest R. Davidson and David Feller", title = "Theoretical investigations of the electronic states of porphyrins. {III}. {Low}-lying electronic states of {porphinatoiron(II)}", journal = j-IJQC, volume = "28", number = "6", pages = "773--796", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1985:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "6", pages = "fmi--fmii", month = dec, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Urry:1985:EPS, author = "Dan W. Urry and Tina L. Trapane and C. M. Venkatachalam and Kari U. Prasad", title = "Energy profiles for sodium ion passage through the single-filing gramicidin transmembrane channel", journal = j-IJQC, volume = "28", number = "S12", pages = "1--13", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Venkatachalam:1985:CDM, author = "C. M. Venkatachalam and D. W. Urry", title = "Calculation of dipole moment changes due to peptide librations in the dynamic $\beta$-spiral of the polypentapeptide of elastin", journal = j-IJQC, volume = "28", number = "S12", pages = "15--24", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Burke:1985:MPT, author = "L. A. Burke", title = "A model potential technique for the calculation of the band structure of poly(glycine)", journal = j-IJQC, volume = "28", number = "S12", pages = "25--31", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yoon:1985:IWS, author = "Chang No Yoon and Mu Shik Jhon", title = "Intermediate water structures in solution of alanine dipeptide", journal = j-IJQC, volume = "28", number = "S12", pages = "33--47", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gresh:1985:TSS, author = "Nohad Gresh and Bernard Pullman", title = "A theoretical study of the selective entrapment of alkali and ammonium cations between guanine tetramers", journal = j-IJQC, volume = "28", number = "S12", pages = "49--56", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fischer-Hjalmars:1985:MBI, author = "I. Fischer-Hjalmars and H. Holmgren and A. Henriksson-Enflo", title = "Metals in biology: {Iron} complexes modeling electron transfer", journal = j-IJQC, volume = "28", number = "S12", pages = "57--67", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Venanzi:1985:MRA, author = "Carol A. Venanzi and Jeffrey D. Bunce", title = "Molecular recognition by artificial enzymes: {Cyclic} urea mimetics of alpha chymotrypsin", journal = j-IJQC, volume = "28", number = "S12", pages = "69--87", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Seiders:1985:QMI, author = "Barbara A. Seiders and Alan A. Brimfield and Kenneth Hunter and Michael C. Zerner and George D. {Purvism III} and W. Daniel Edwards", title = "A quantum mechanical investigation into the fine specificity of the antibodies to soman, {BE2}, and {CC1}", journal = j-IJQC, volume = "28", number = "S12", pages = "89--98", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Luke:1985:TIF, author = "Brian T. Luke and Gilda H. Loew", title = "A theoretical investigation of the first step in the metabolic reduction of halogenated methanes by cytochrome {P-450}", journal = j-IJQC, volume = "28", number = "S12", pages = "99--112", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mezey:1985:GTE, author = "Paul G. Mezey", title = "Group theory of electrostatic potentials: a tool for quantum chemical drug design", journal = j-IJQC, volume = "28", number = "S12", pages = "113--122", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Grossman:1985:GTA, author = "Stuart C. Grossman and Borka Jerman-Bla{\v{z}}i{\'c} D{\v{z}}onova and Milan Randi{\'c}", title = "A graph theoretical approach to quantitative structure-activity relationship", journal = j-IJQC, volume = "28", number = "S12", pages = "123--139", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cabrol:1985:QCS, author = "D. Cabrol and H. Broch and D. Vasilescu", title = "Quantum conformational studies of model molecules in relation to collagenic structures: {Effect} of nature and location of aliphatic residues in (gly-{R$_2$}pro)$_n$ and (gly-pro-{R$_3$})$_n$ sequences", journal = j-IJQC, volume = "28", number = "S12", pages = "141--152", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sundaralingam:1985:TDS, author = "M. Sundaralingam and S. T. Rao and W. Drendel and M. L. Greaser", title = "The three-dimensional structure of {troponin-C}: {Supersecondary} structural homology of calcium binding folds", journal = j-IJQC, volume = "28", number = "S12", pages = "153--160", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Klasinc:1985:APS, author = "L. Klasinc and B. Ru{\v{s}}{\v{c}}i{\'c} and N. S. Bhacca and S. P. Mcglynn", title = "Application of photoelectron spectroscopy to biologically active molecules and their constituent parts {XI}: {Steroids}", journal = j-IJQC, volume = "28", number = "S12", pages = "161--167", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Srivastava:1985:QCM, author = "Sudha Srivastava and Ratna S. Phadke and Anil Saran and Gerjesh Govil", title = "Quantum chemical and magnetic resonance studies on interaction of $\alpha$-tocopherol with phospholipids", journal = j-IJQC, volume = "28", number = "S12", pages = "169--181", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gupta:1985:DSS, author = "Goutam Gupta and Mukti H. Sarma and Ramaswamy H. Sarma", title = "Determination of the solution structure of nucleic acid double helices using {NOE} difference {NMR} spectroscopy, chemical shift calculations, and computer modeling", journal = j-IJQC, volume = "28", number = "S12", pages = "183--199", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yoneda:1985:CUS, author = "Shigetaka Yoneda", title = "A calculation by using semiempirical potentials of a complex of nucleotides and the cognate amino acid: {A} numerical approach to the amino acid recognition by {tRNA} for the ten typical cases", journal = j-IJQC, volume = "28", number = "S12", pages = "201--208", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jaworski:1985:WII, author = "Andrzej Jaworski and J{\'o}zef S. Kwiatkowski and Bogdan Lesyng", title = "Why isoguanine and isocytosine are not the components of the genetic code", journal = j-IJQC, volume = "28", number = "S12", pages = "209--216", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Srinivasan:1985:MMM, author = "S. Srinivasan and G. Raghunathan and M. Shibata and R. Rein", title = "Multistep modeling {(MSM)} of biomolecular structure application to the {A-G} mispair in the {B-DNA} environment", journal = j-IJQC, volume = "28", number = "S12", pages = "217--227", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Majumdar:1985:ESP, author = "Rabi Majumdar and Ashoke R. Thakur", title = "Effect of structural perturbations on helix--coil transitions in covalently closed supercoiled {DNA}", journal = j-IJQC, volume = "28", number = "S12", pages = "229--234", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "9 Jul 2009", } @Article{Ladikm:1985:PCS, author = "J. J. Ladikm and M. Seel", title = "Perturbation of cell-selfregulation through oncoproteins", journal = j-IJQC, volume = "28", number = "S12", pages = "235--244", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gascoyne:1985:RMC, author = "Peter Gascoyne", title = "The redox-mediated control of enzyme function and cellular structure", journal = j-IJQC, volume = "28", number = "S12", pages = "245--255", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Szent-Gyorgyi:1985:MC, author = "Albert Szent-Gyorgyi", title = "Metabolism and cancer", journal = j-IJQC, volume = "28", number = "S12", pages = "257--261", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Reynolds:1985:ICR, author = "C. A. Reynolds and C. Thomson", title = "Ab initio calculations relevant to the mechanism of chemical carcinogenesis {II}: {The} nitrous acidium ion a powerful nitrosating agent", journal = j-IJQC, volume = "28", number = "S12", pages = "263--279", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Shimizu:1985:MEM, author = "Mikio Shimizu", title = "Molecular electric mechanism for discrimination of amino acid by cognate {tRNA}", journal = j-IJQC, volume = "28", number = "S12", pages = "281--286", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1985:Ab, author = "Anonymous", title = "Abstract", journal = j-IJQC, volume = "28", number = "S12", pages = "287--288", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1985:Ia, author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "28", number = "S12", pages = "v--v", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1985:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "S12", pages = "fmi--fmi", day = "14--16", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:05 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1985:Ib, author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "28", number = "S19", pages = "1--2", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1985:LPP, author = "Anonymous", title = "List of participants: {Part II}", journal = j-IJQC, volume = "28", number = "S19", pages = "5--14", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Andersson:1985:IR, author = "Johnny Andersson", title = "Introductory remarks", journal = j-IJQC, volume = "28", number = "S19", pages = "15--17", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1985:TFY, author = "Per-Olov L{\"o}wdin", title = "Twenty-five years of {Sanibel Symposia}: {A} brief historic and scientific survey", journal = j-IJQC, volume = "28", number = "S19", pages = "19--37", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ohrn:1985:ABP, author = "Yngve {\"O}hrn", title = "The {AGP}-based polarization propagator", journal = j-IJQC, volume = "28", number = "S19", pages = "39--50", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Goscinski:1985:LBS, author = "Osvaldo Goscinski", title = "Are localized broken symmetry solutions acceptable in molecular calculations?", journal = j-IJQC, volume = "28", number = "S19", pages = "51--59", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Farazdel:1985:VMV, author = "Abbas Farazdel and William M. Westgate and Alfredo M. Simas and Robin P. Sagar and Vedene H. {Smith, Jr.}", title = "Validity of the mass-velocity term in the {Breit--Pauli Hamiltonian}", journal = j-IJQC, volume = "28", number = "S19", pages = "61--68", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Murty:1985:AMA, author = "J. S. Murty and R. S. Nikam and C. R. Sarma", title = "Angular momentum adaptation of spinor basis", journal = j-IJQC, volume = "28", number = "S19", pages = "69--77", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Zeng:1985:POS, author = "Zong-Hao Zeng and Chia-Chung Sun", title = "The projection operators of {${\rm SU}(2)$} and the {Sanibel} coefficients", journal = j-IJQC, volume = "28", number = "S19", pages = "79--92", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mezey:1985:RPG, author = "Paul. G. Mezey", title = "The reaction polyhedron and group theory of reaction mechanisms", journal = j-IJQC, volume = "28", number = "S19", pages = "93--105", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Randic:1985:FCP, author = "M. Randi{\'c} and B. Baker and A. F. Kleiner", title = "Factoring the characteristic polynomial", journal = j-IJQC, volume = "28", number = "S19", pages = "107--127", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Krivka:1985:CCP, author = "P. K{\v{r}}ivka and {\v{Z}}. Jeri{\v{c}}evi{\'c} and N. Trinajsti{\'c}", title = "On the computation of characteristic polynomial of a chemical graph", journal = j-IJQC, volume = "28", number = "S19", pages = "129--147", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Guseinov:1985:EME, author = "I. I. Guseinov", title = "Evaluation of multicenter electron-repulsion integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "28", number = "S19", pages = "149--155", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jones:1985:CGF, author = "Herbert W. Jones", title = "Computer-generated formulas for exchange integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "28", number = "S19", pages = "157--163", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Manne:1985:MES, author = "Rolf Manne and Michael C. Zerner", title = "Matrix elements of spin-dependent one-electron operators between bonded functions", journal = j-IJQC, volume = "28", number = "S19", pages = "165--172", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hunter:1985:EOE, author = "Geoffrey Hunter and Chin Chiu Tai", title = "An exact one-electron model of the helium atom ground state", journal = j-IJQC, volume = "28", number = "S19", pages = "173--180", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Weniger:1985:SAN, author = "E. J. Weniger and J. Grotendorst and E. O. Steinborn", title = "Some applications of nonlinear convergence accelerators", journal = j-IJQC, volume = "28", number = "S19", pages = "181--191", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cisneros:1985:TMS, author = "Gerardo Cisneros and Carlos F. Bunge", title = "Towards a modular system in computational quantum chemistry", journal = j-IJQC, volume = "28", number = "S19", pages = "193--199", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Winkler:1985:UMB, author = "Peter Winkler", title = "A unified many-body theory of dielectronic recombination and autoionization", journal = j-IJQC, volume = "28", number = "S19", pages = "201--216", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Adamowicz:1985:DCC, author = "Ludwik Adamowicz and Rodney J. Bartlett", title = "Direct coupled cluster calculations on excited states", journal = j-IJQC, volume = "28", number = "S19", pages = "217--220", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kaufman:1985:MDC, author = "Joyce J. Kaufman and P. C. Hariharan and C. Chabalowski and Matti Hotokka", title = "Multireference determinant {CI} calculations and {CASSCF} calculations on the {CH$_3$\bond{}NO$_2$} decomposition pathway of nitromethane", journal = j-IJQC, volume = "28", number = "S19", pages = "221--235", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Aagren:1985:DRS, author = "H. {\AA}gren and N. Correia and A. Flores-Riveros and H. J. Aa. Jensen", title = "Direct restricted-step {MCSCF} calculations on the structure and spectrum of cyclobutadiene", journal = j-IJQC, volume = "28", number = "S19", pages = "237--246", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Darvesh:1985:CSM, author = "K. V. Darvesh and F. Grein", title = "Configuration selection in the {MCSCF} method. {I}. {Application} to the {B\,$^1\Sigma^+$} state of {HF}", journal = j-IJQC, volume = "28", number = "S19", pages = "247--256", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kemister:1985:IPM, author = "G. Kemister and N. H. March", title = "Ionization potentials of molecular systems with many electrons", journal = j-IJQC, volume = "28", number = "S19", pages = "257--265", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Aerts:1985:UGB, author = "P. J. C. Aerts and W. C. Nieuwpoort", title = "On the use of {Gaussian} basis sets to solve the {Hartree--Fock-Dirac} equation. {II}. {Application} to many-electron atomic and molecular systems", journal = j-IJQC, volume = "28", number = "S19", pages = "267--277", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gaspar:1985:BSS, author = "R. G{\'a}sp{\'a}r and R. {G{\'a}sp{\'a}r, Jr.}", title = "Basis set study in pseudopotential method", journal = j-IJQC, volume = "28", number = "S19", pages = "279--284", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ishikawa:1985:GBD, author = "Yasuyuki Ishikawa and Reinaldo Baretty and Robert C. {Binning, Jr.}", title = "{Gaussian} basis for the {Dirac-Fock} discrete basis expansion calculations", journal = j-IJQC, volume = "28", number = "S19", pages = "285--295", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mathers:1985:CBS, author = "T. L. Mathers and N. R. Kestner", title = "Correlation and basis set superposition effects on three body ion-water-water interactions", journal = j-IJQC, volume = "28", number = "S19", pages = "297--311", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Delhalle:1985:EGL, author = "J. Delhalle and V. P. Bodart and M. Dory and J. M. Andr{\'e} and J. Zyss", title = "Equilibrium geometry and longitudinal electric polarizability of allene, diallene, and iriallene: {An} ab initio study", journal = j-IJQC, volume = "28", number = "S19", pages = "313--321", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Dagata:1985:TNI, author = "J. A. Dagata and S. P. McGlynn", title = "Treatment of nonadiabatic interactions in polyatomic molecules by the frame transformation method: {Application} to the methyl iodide spectrum", journal = j-IJQC, volume = "28", number = "S19", pages = "323--332", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Adams:1985:HAH, author = "William H. Adams and Meredith M. Clayton", title = "The hydrogen atom in the hydrogen molecule", journal = j-IJQC, volume = "28", number = "S19", pages = "333--348", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Garcia-Sucre:1985:IEA, author = "M. Garc{\'\i}a-Sucre and R. Medina and I. Reif and G. J. Mata", title = "Ionization energies of atomic systems obtained from nuclear and electronic charge scalings", journal = j-IJQC, volume = "28", number = "S19", pages = "349--361", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Donnelly:1985:SOC, author = "Robert A. Donnelly", title = "Second-order calculation on the doublet pi {CO} shape resonance", journal = j-IJQC, volume = "28", number = "S19", pages = "363--368", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Chatzidimitriou-Dreismann:1985:TSD, author = "C. A. Chatzidimitriou-Dreismann", title = "On time superoperator and dynamical fluctuations in photoemission", journal = j-IJQC, volume = "28", number = "S19", pages = "369--382", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nesbet:1985:ILE, author = "R. K. Nesbet", title = "The influence of localized excitations on spin-selective electron scattering and {Auger} emission in transition metals", journal = j-IJQC, volume = "28", number = "S19", pages = "383--391", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ondrechen:1985:MSB, author = "Mary Jo Ondrechen and Jaeju Ko and Li-Tai Zhang", title = "Models for the spectra of bridged mixed-valence dimers", journal = j-IJQC, volume = "28", number = "S19", pages = "393--401", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kumar:1985:PLO, author = "D. Kumar and L. Klasinc and P. L. Clancy and S. P. McGlynn", title = "Pulsed laser optogalvanic spectroscopy of xenon in {RF} discharge", journal = j-IJQC, volume = "28", number = "S19", pages = "403--410", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Green:1985:QME, author = "A. E. S. Green and J. M. Schwartz and S. T. Suh", title = "Quantum mechanical engineering of short range potentials", journal = j-IJQC, volume = "28", number = "S19", pages = "411--419", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kolos:1985:QCC, author = "W. Ko{\l}os and B. Jeziorski and H. J. Monkhorst and K. Szalewicz", title = "Quantum chemical contribution to electron neutrino mass determination", journal = j-IJQC, volume = "28", number = "S19", pages = "421--441", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Micha:1985:CTC, author = "David A. Micha", title = "Collisional time-correlation functions for molecular interactions", journal = j-IJQC, volume = "28", number = "S19", pages = "443--455", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brandas:1985:IPQ, author = "Erkki Br{\"a}ndas and Erik Engdahl and Magnus Rittby and Nils Elander", title = "On the inverse problem in quantum scattering theory", journal = j-IJQC, volume = "28", number = "S19", pages = "457--466", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Linderberg:1985:BCC, author = "Jan Linderberg", title = "Basis for coupled channel approach to reactive scattering", journal = j-IJQC, volume = "28", number = "S19", pages = "467--476", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Battaglia:1985:OTE, author = "Franco Battaglia and K. C. Liu and Thomas F. George", title = "One- and two-electron transfer processes in ion-surface scattering", journal = j-IJQC, volume = "28", number = "S19", pages = "477--489", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sham:1985:DFB, author = "L. J. Sham", title = "Density functionals beyond the local density approximation", journal = j-IJQC, volume = "28", number = "S19", pages = "491--495", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Perdew:1985:DFT, author = "John P. Perdew", title = "Density functional theory and the band gap problem", journal = j-IJQC, volume = "28", number = "S19", pages = "497--523", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cohen:1985:CES, author = "L. Cohen and C. Frishberg and Chongmoon Lee and L. J. Massa", title = "Correlation energy for a {Slater} determinant fitted to the electron density", journal = j-IJQC, volume = "28", number = "S19", pages = "525--533", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cohen:1985:SCS, author = "Leon Cohen and Chongmoon Lee", title = "A study of the {Colle--Salvetti} functional for $\rho_2$ via an exactly soluble problem", journal = j-IJQC, volume = "28", number = "S19", pages = "535--545", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Herman:1985:ESS, author = "Frank Herman", title = "Electronic structure of semiconductor interfaces", journal = j-IJQC, volume = "28", number = "S19", pages = "547--557", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Csavinszky:1985:TAB, author = "P. Csavinszky", title = "Total atomic binding energy via the density functional theory", journal = j-IJQC, volume = "28", number = "S19", pages = "559--565", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Berggren:1985:FSB, author = "K.-F. Berggren and B. L. Widlund", title = "Formation of sub-bands and the {$3$D} to {$2$D} transition of electrons in a {GaAs MESFET}", journal = j-IJQC, volume = "28", number = "S19", pages = "567--578", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Faulkner:1985:ESD, author = "J. S. Faulkner", title = "Electronic states in disordered solids. {III}. {Applications} to materials science", journal = j-IJQC, volume = "28", number = "S19", pages = "579--593", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fink:1985:SIS, author = "William H. Fink", title = "Symmetry implications for the selection of cluster sizes for semiconductor surfaces", journal = j-IJQC, volume = "28", number = "S19", pages = "595--602", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brener:1985:ESS, author = "N. E. Brener and J. Callaway and P. Blaha", title = "Electronic structure of small sodium clusters", journal = j-IJQC, volume = "28", number = "S19", pages = "603--612", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Curtiss:1985:TSI, author = "L. A. Curtiss and J. A. Pople", title = "Theoretical studies of the interaction of {H$_2$O} with small clusters of beryllium atoms", journal = j-IJQC, volume = "28", number = "S19", pages = "613--628", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Zunger:1985:TSO, author = "Alex Zunger", title = "Ternary semiconductors and ordered pseudobinary alloys: {Electronic} structure and predictions of new materials", journal = j-IJQC, volume = "28", number = "S19", pages = "629--653", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Calais:1985:OSA, author = "Jean-Louis Calais", title = "Orthonormalization and symmetry adaptation of crystal orbitals", journal = j-IJQC, volume = "28", number = "S19", pages = "655--667", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jones:1985:AOP, author = "R. S. Jones and S. B. Trickey", title = "Avoiding orthogonality problems in the application of the alternant molecular orbital method to solids", journal = j-IJQC, volume = "28", number = "S19", pages = "669--673", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Etters:1985:VRF, author = "R. D. Etters and B. Silvi and V. Chandrasekharan and M. Chergui", title = "Vibrational and rotational frequency shifts of dilute {H$_2$}, {D$_2$}, and {HD} impurities in solid {Ar}, {Kr}, and {Xe} under pressure", journal = j-IJQC, volume = "28", number = "S19", pages = "675--686", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lucas:1985:EEL, author = "A. A. Lucas and J. P. Vigneron and P. H. Lambin and P. A. Thiry and M. Liehr and J. J. Pireaux and R. Caudano", title = "Electron energy loss spectroscopy of surface and interface phonons of insulators, semiconductors, and superlattices", journal = j-IJQC, volume = "28", number = "S19", pages = "687--705", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Klein:1985:OHR, author = "D. J. Klein and T. G. Schmalz and W. A. Seitz and G. E. Hite", title = "Overview of {H{\"u}ckel}- and resonance-theoretic approaches to $\pi$-network polymers", journal = j-IJQC, volume = "28", number = "S19", pages = "707--718", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{March:1985:ECE, author = "N. H. March", title = "Electron correlation and electron momenta in polyacetylene", journal = j-IJQC, volume = "28", number = "S19", pages = "719--727", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Karo:1985:GRV, author = "A. M. Karo and J. R. Hiskes", title = "Generation and relaxation of vibrationally-excited {H$_2$} molecules by wall collisions", journal = j-IJQC, volume = "28", number = "S19", pages = "729--729", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lohr:1985:PCE, author = "Lawrence L. Lohr", title = "The protonic counterpart of electronegativity", journal = j-IJQC, volume = "28", number = "S19", pages = "731--732", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sabin:1985:TLE, author = "John R. Sabin and J. Oddershede", title = "Theoretical low energy proton stopping powers: {Effects} of sample phase", journal = j-IJQC, volume = "28", number = "S19", pages = "733--734", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Diercksen:1985:SST, author = "G. H. F. Diercksen and N. E. Gr{\"u}ner and John R. Sabin and Jens Oddershede", title = "structures and spectra of triatomic silicon-carbon compounds", journal = j-IJQC, volume = "28", number = "S19", pages = "735--736", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Muller:1985:EFS, author = "Wolfgang M{\"u}ller and Paul S. Bagus", title = "Electric field and surface charge effects on the vibrational frequency of {CO} chemisorbed on metal surfaces: {Cluster} model studies for {CO\slash Cu(100)}", journal = j-IJQC, volume = "28", number = "S19", pages = "737--738", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Datseff:1985:NSE, author = "A. B. Datseff", title = "On the nonlinear {Schr{\"o}dinger} equation", journal = j-IJQC, volume = "28", number = "S19", pages = "739--740", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Nagel:1985:BBA, author = "Bengt Nagel", title = "Breakdown of the {Born} approximation in {Aharonov--Bohm} scattering", journal = j-IJQC, volume = "28", number = "S19", pages = "741--741", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Levy:1985:PEU, author = "Mel Levy and John P. Perdew", title = "Properties of the exact universal density and one-matrix functionals", journal = j-IJQC, volume = "28", number = "S19", pages = "743--744", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mintmire:1985:TPS, author = "J. W. Mintmire and F. W. Kutzler and C. T. White", title = "Theoretical photoelectron spectra using local-density function results", journal = j-IJQC, volume = "28", number = "S19", pages = "745--745", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280871", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jorg:1985:ALX, author = "H. J{\"o}rg and N. R{\"o}sch", title = "Application of the {LCGTO--X$\alpha$} method to chemisorption studies: {The} cluster {Ni$_2$ CO}", journal = j-IJQC, volume = "28", number = "S19", pages = "747--747", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280872", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Khait:1985:NKM, author = "Yury L. Khait", title = "A new kinetic many-body theory of rate processes in and on solids and its applications", journal = j-IJQC, volume = "28", number = "S19", pages = "749--750", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280873", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brown:1985:EGN, author = "Robert G. Brown and Mikael Ciftan", title = "Erratum: {A} generalized non-muffin-tin theory of band structure", journal = j-IJQC, volume = "28", number = "S19", pages = "751--752", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280874", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Brown:1985:GNM}. Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1985:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "28", number = "S19", pages = "fmi--fmi", day = "18--23", month = mar, year = "1985", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560280801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 15:51:07 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ugalde:1986:RBE, author = "J. M. Ugalde and Russell J. Boyd", title = "On the relationship between the electron-pair distribution function and the correlation energy of an atom", journal = j-IJQC, volume = "29", number = "1", pages = "1--9", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kibler:1986:ELPa, author = "Maurice Kibler and Genevi{\`e}ve Grenet", title = "Energy levels of paramagnetic ions: {Algebra}. {IV}. {The} case of {f$^N$} ions in cubical symmetry", journal = j-IJQC, volume = "29", number = "1", pages = "11--22", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1986:GAA, author = "A. M. Sapse and Duli C. Jain", title = "Guanine and adenine-amino acids interactions: {An} ab initio study", journal = j-IJQC, volume = "29", number = "1", pages = "23--29", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1986:SCP, author = "I. Mayer", title = "Simple constructive proof of {Karadakov}'s extended pairing theorem", journal = j-IJQC, volume = "29", number = "1", pages = "31--34", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bigelow:1986:CCR, author = "Richard W. Bigelow", title = "Correlation contributions to the radical cation states of linear even polyenes: {An} open-shell {RHF-CNDO\slash S(CI)} analysis of the optical and photoelectron spectra", journal = j-IJQC, volume = "29", number = "1", pages = "35--60", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Heaton:1986:DRC, author = "M. M. Heaton and M. R. El-Talbi", title = "The difluoroethylenes: a reconsideration of the {``Cis} effect''", journal = j-IJQC, volume = "29", number = "1", pages = "61--72", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1986:BOVa, author = "I. Mayer", title = "On bond orders and valences in the {Ab} initio quantum chemical theory", journal = j-IJQC, volume = "29", number = "1", pages = "73--84", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1986:NGC, author = "Paul G. Mezey", title = "New global constraints on electronic energy hypersurfaces", journal = j-IJQC, volume = "29", number = "1", pages = "85--99", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gresh:1986:IIE, author = "N. Gresh and P. Claverie and A. Pullman", title = "Intermolecular interactions: {Elaboration} on an additive procedure including an explicit charge-transfer contribution", journal = j-IJQC, volume = "29", number = "1", pages = "101--118", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rettrup:1986:DES, author = "Sten Rettrup", title = "Direct evaluation of spin representation matrices and ordering of permutation-group elements", journal = j-IJQC, volume = "29", number = "1", pages = "119--128", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1986:QMM, author = "John Avery and Peter Sommer Larsen and Shen Hengyi", title = "The quantum mechanical many-body problem in hyperspherical coordinates. {Analysis} of systems with {Coulomb} interactions in terms of many-dimensional hydrogen-like wave functions", journal = j-IJQC, volume = "29", number = "1", pages = "129--147", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Petkov:1986:MLS, author = "Ivan Zh. Petkov and Mario V. Stoitsov and Eugene S. Kryachko", title = "Method of local-scaling transformations and density-functional theory in quantum chemistry", journal = j-IJQC, volume = "29", number = "1", pages = "149--161", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kobeissi:1986:DVR, author = "H. Kobeissi", title = "On the diatomic vibration--rotation eigenvalue problem", journal = j-IJQC, volume = "29", number = "1", pages = "163--164", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nath:1986:SBA, author = "S. Nath and K. Shobha and K. D. Sen", title = "A simple bound to average electronic density and energy for atoms within an isoelectronic series", journal = j-IJQC, volume = "29", number = "1", pages = "165--167", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1986:BRBa, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Recent advances in group theory and their application to spectroscopy}}. By John C. Donini, ed., NATO Advanced Study Institute series, vol. B43. Plenum Press, New York, 1979, pp. xii + 692}", journal = j-IJQC, volume = "29", number = "1", pages = "169--169", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Donini:1979:RAG}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katriel:1986:GDI, author = "J. Katriel and J. Paldus and R. Pauncz", title = "Generalized {Dirac} identities and explicit relations between the permutational symmetry and the spin operators for systems of identical particles", journal = j-IJQC, volume = "29", number = "1", pages = "171--171", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "29", number = "1", pages = "fmi--fmii", month = jan, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:48 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1986:CGF, author = "Herbert W. Jones", title = "Computer-generated formulas for four-center integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "29", number = "2", pages = "177--183", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dressler:1986:CTE, author = "K. Dressler and L. Wolniewicz and P. Quadrelli", title = "Comparison of theory and experiment for excited singlet states of the {H$_2$} molecule", journal = j-IJQC, volume = "29", number = "2", pages = "185--189", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Millen:1986:GFG, author = "D. J. Millen", title = "General features of geometries and potential constants of hydrogen bonded dimers", journal = j-IJQC, volume = "29", number = "2", pages = "191--196", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hunter:1986:EOE, author = "Geoffrey Hunter", title = "The exact one-electron model of molecular structure", journal = j-IJQC, volume = "29", number = "2", pages = "197--204", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roy:1986:UCC, author = "S. Roy and S. Sengupta and D. Mukherjee and P. K. Mukherjee", title = "Use of coupled-cluster based linear response theory and multireference {Hermitian} {MBPT} to {IP} calculations of {HF}", journal = j-IJQC, volume = "29", number = "2", pages = "205--210", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morales:1986:HTL, author = "J. Morales and A. Palma and L. Sandoval", title = "Hypervirial theorem and ladder operators. {Recurrence} relations for harmonic oscillator integrals", journal = j-IJQC, volume = "29", number = "2", pages = "211--219", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Demiralp:1986:NAA, author = "Metin Demiralp", title = "A new algebraic approach to the eigenvalue problems of linear differential operators without integrations", journal = j-IJQC, volume = "29", number = "2", pages = "221--227", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kiang:1986:GEC, author = "Yuan-Sun Kiang and Au-Chin Tang", title = "A graphical evaluation of characteristic polynomials of {H{\"u}ckel} trees", journal = j-IJQC, volume = "29", number = "2", pages = "229--240", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", xxnote = "Check authors??", } @Article{Radzio:1986:LLC, author = "E. Radzio and D. R. Salahub", title = "{LCGTO}-{LSD} calculations for {CH$_2$}", journal = j-IJQC, volume = "29", number = "2", pages = "241--247", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cohen:1986:HER, author = "Leon Cohen", title = "Hierarchy equations for reduced density matrices in different representations", journal = j-IJQC, volume = "29", number = "2", pages = "249--260", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Silverstone:1986:RCA, author = "Harris J. Silverstone", title = "Reality and complexity in asymptotic expansions for eigenvalues and eigenfunctions, with application to the {JWKB} connection-formula problem", journal = j-IJQC, volume = "29", number = "2", pages = "261--272", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zeng:1986:ITO, author = "Zonghao Zeng and Chia-Chung Sun", title = "On the irreducible tensor operators and the unitarily invariant decomposition of {Hermitian} operators", journal = j-IJQC, volume = "29", number = "2", pages = "273--283", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Latajka:1986:EPT, author = "Zdzis{\l}aw Latajka and Steve Scheiner", title = "Energetics of proton transfer between carbon atoms {(H$_3$CHCH$_3$)$^-$}", journal = j-IJQC, volume = "29", number = "2", pages = "285--292", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1986:A, author = "Per-Olov L{\"o}wdin", title = "Announcement", journal = j-IJQC, volume = "29", number = "2", pages = "vii--viii", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:EC, author = "Anonymous", title = "Editorial Comments", journal = j-IJQC, volume = "29", number = "2", pages = "ix--ix", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:LPa, author = "Anonymous", title = "List of {Participants}", journal = j-IJQC, volume = "29", number = "2", pages = "xi--xl", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "29", number = "2", pages = "fmi--fmii", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sandorfy:1986:P, author = "C. Sandorfy and W. Siebrand and V. H. {Smith, Jr.} and J. Cizek and J. Paldus and D. Salahub", title = "Preface", journal = j-IJQC, volume = "29", number = "2", pages = "v--v", month = feb, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Qianer:1986:DCS, author = "Zhang Qianer and Li Xiangzhu", title = "Double coset for symmetry orbitals", journal = j-IJQC, volume = "29", number = "3", pages = "293--303", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fliszar:1986:CDC, author = "S. Flisz{\'a}r", title = "Charge distributions and chemical effects. {XLII}. {Atomic} charges and their role in energy calculations", journal = j-IJQC, volume = "29", number = "3", pages = "305--310", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Farazdel:1986:IUM, author = "Abbas Farazdel and Vedene H. {Smith, Jr.}", title = "Invalidity of the ubiquitous mass-velocity operator in quasirelativistic theories", journal = j-IJQC, volume = "29", number = "3", pages = "311--314", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smith:1986:HFH, author = "J. L. Smith and A. Michael Boring and P. Weinberger", title = "Heavy fermions and heavy atoms", journal = j-IJQC, volume = "29", number = "3", pages = "315--321", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sharma:1986:WDK, author = "B. S. Sharma and Ajit J. Thakkar", title = "What do kinetic-energy anisotropies tell us about chemical bonding? {I}. {Diatomic} hydrides", journal = j-IJQC, volume = "29", number = "3", pages = "323--332", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1986:NCM, author = "Paul G. Mezey", title = "Nuclear charges and molecular total energies: a rule on nested reaction globes", journal = j-IJQC, volume = "29", number = "3", pages = "333--343", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hess:1986:CCP, author = "B. Andes {Hess, Jr.} and L. J. Schaad and D. N. Reinhoudt", title = "[2 + 2] {Cycloadditions}. {A} concerted pathway for acetylene plus ethylene", journal = j-IJQC, volume = "29", number = "3", pages = "345--350", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shinagawa:1986:MEC, author = "Y. Shinagawa and Yasuko Shinagawa", title = "The minimal energy conformations of o-benzosemiquinone anion radicals in the solvents containing the alkali metals and the alkali earth metals", journal = j-IJQC, volume = "29", number = "3", pages = "351--360", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shinagawa:1986:CBR, author = "Yasuko Shinagawa and Y. Shinagawa", title = "The conformation of o-benzosemiquinone radical and its assignment of the proton hyperfine coupling constants by using the {INDO} and the molecular geometry adjusting methods", journal = j-IJQC, volume = "29", number = "3", pages = "361--371", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonaccorsi:1986:CCC, author = "Rosanna Bonaccorsi and Roberto Cammi and Jacopo Tomasi", title = "Counterpoise corrections to the components of bimolecular energy interactions: {An} examination of three methods of decomposition", journal = j-IJQC, volume = "29", number = "3", pages = "373--378", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tuszynski:1986:CDH, author = "J. A. Tuszy{\'n}ski", title = "Comments on the {Davydov Hamiltonian} for quasi-one-dimensional molecular chains", journal = j-IJQC, volume = "29", number = "3", pages = "379--391", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pan:1986:SPS, author = "Y. K. Pan and M. Xin and D. Li and Lue-Yung Chow Chiu", title = "Study of photoelectron spectra of some {XPY$_3$} molecules {(X $=$ O, S and Y $=$ Cl, Br)} by the {SCF-X$_\alpha$}--{SW} method", journal = j-IJQC, volume = "29", number = "3", pages = "393--397", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Theodorakopoulos:1986:MCT, author = "G. Theodorakopoulos and I. D. Petsalakis and C. A. Nicolaides", title = "A method for the calculation of transition moments between electronic states of molecules using a different one-electron basis set for each state", journal = j-IJQC, volume = "29", number = "3", pages = "399--406", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cohen:1986:CHP, author = "Leon Cohen and Chongmoon Lee", title = "Correlation hole and physical properties: a model calculation", journal = j-IJQC, volume = "29", number = "3", pages = "407--424", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Haque:1986:OSC, author = "Azizul Haque and Uzi Kaldor", title = "Open-Shell coupled-cluster method: {Variational} and nonvariational calculation of ionization potentials", journal = j-IJQC, volume = "29", number = "3", pages = "425--433", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Buenker:1986:CPT, author = "Robert J. Buenker", title = "Combining perturbation theory techniques with variational {CI} calculations to study molecular excited states", journal = j-IJQC, volume = "29", number = "3", pages = "435--460", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vrbik:1986:OSW, author = "Jan Vrbik and Stuart M. Rothstein", title = "Optimal spacing and weights in diffusion {Monte Carlo}", journal = j-IJQC, volume = "29", number = "3", pages = "461--468", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Suhai:1986:ENF, author = "S. Suhai", title = "On the excitonic nature of the first {UV} absorption peak in polyene", journal = j-IJQC, volume = "29", number = "3", pages = "469--476", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1986:BOVb, author = "I. Mayer", title = "Bond orders and valences from ab initio wave functions", journal = j-IJQC, volume = "29", number = "3", pages = "477--483", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290320", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kibler:1986:ELPb, author = "Maurice Kibler and Genevi{\`e}ve Grenet", title = "Energy levels of paramagnetic ions: {Algebra}. {V}. {Weak}-field models", journal = j-IJQC, volume = "29", number = "3", pages = "485--495", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290321", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1986:OPL, author = "John Avery and S{\o}ren Hvidt", title = "Optical properties of large molecules and clusters in the {Frenkel} exciton picture", journal = j-IJQC, volume = "29", number = "3", pages = "497--510", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290322", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Burke:1986:SDA, author = "Luke A. Burke", title = "Synchronism in the {Diels-Alder} reaction", journal = j-IJQC, volume = "29", number = "3", pages = "511--518", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290323", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yadav:1986:APT, author = "J. S. Yadav and J. D. Goddard", title = "Acetaldehyde photochemistry: {Testing} the additivity assumption and polarized basis set effects", journal = j-IJQC, volume = "29", number = "3", pages = "519--526", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290324", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cammi:1986:NOL, author = "Roberto Cammi and Caterina Ghio and Jacopo Tomasi", title = "Neutral organic {Lewis} acids of $\pi$ type", journal = j-IJQC, volume = "29", number = "3", pages = "527--539", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290325", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barone:1986:CBA, author = "Vincenzo Barone and Francesco Lelj and Nino Russo", title = "Conformational behavior of azabiphenyls", journal = j-IJQC, volume = "29", number = "3", pages = "541--551", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290326", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smeyers:1986:CQM, author = "Yves G. Smeyers and A. Hern{\'a}ndez-Laguna", title = "Classical and quantum mechanical calculations of conformational probability density distributions. {Two}-rotor molecules", journal = j-IJQC, volume = "29", number = "3", pages = "553--562", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290327", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laskowski:1986:ICP, author = "Bernard C. Laskowski and Richard L. Jaffe and Andrew Komornicki", title = "Ab initio calculations of phenylene ring motions in polyphenylene oxide", journal = j-IJQC, volume = "29", number = "3", pages = "563--578", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290328", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "29", number = "3", pages = "fmi--fmii", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tang:1986:SRP, author = "Au-Chin Tang and Qian-Shu Li", title = "A structural rule of polyhedral boranes and heteroboranes", journal = j-IJQC, volume = "29", number = "4", pages = "579--587", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Reynolds:1986:QCQ, author = "P. J. Reynolds and R. N. Barnett and B. L. Hammond and R. M. Grimes and W. A. {Lester, Jr.}", title = "Quantum chemistry by quantum {Monte Carlo}: {Beyond} ground-state energy calculations", journal = j-IJQC, volume = "29", number = "4", pages = "589--596", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ladik:1986:QMT, author = "J. Ladik and P. Otto and A. K. Bakhshi and M. Seel", title = "Quantum mechanical treatment of biopolymers as solids: {Possible} implications for carcinogenesis", journal = j-IJQC, volume = "29", number = "4", pages = "597--617", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Marchese:1986:TMM, author = "Francis T. Marchese and David L. Beveridge", title = "Thermal motion from {Monte Carlo} simulations of aqueous ionic solutions", journal = j-IJQC, volume = "29", number = "4", pages = "619--625", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fulscher:1986:ANE, author = "M. P. F{\"u}lscher and E. L. Mehler", title = "Analysis of nonadditivity effects and estimation of many-body effects in linear water chains", journal = j-IJQC, volume = "29", number = "4", pages = "627--638", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Birge:1986:STD, author = "Robert R. Birge and Brian M. Pierce", title = "Semiclassical time-dependent theory of two-photon spectroscopy. {The} effect of dephasing in the virtual level on the two-photon excitation spectrum of isotachysterol", journal = j-IJQC, volume = "29", number = "4", pages = "639--656", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cvitas:1986:HRP, author = "T. Cvita{\v{s}} and L. Klasinc and B. Kova{\v{c}}", title = "High-resolution photoelectron spectrum of ozone", journal = j-IJQC, volume = "29", number = "4", pages = "657--661", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zahradnik:1986:WII, author = "Rudolf Zahradn{\'\i}k and Pavel Hobza", title = "Weak intermolecular interactions: {Statics} and dynamics", journal = j-IJQC, volume = "29", number = "4", pages = "663--676", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ohno:1986:BSD, author = "Koichi Ohno and Toshimasa Ishida", title = "Basis-Set dependence of exterior electron distributions of molecular orbitals", journal = j-IJQC, volume = "29", number = "4", pages = "677--688", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matsumoto:1986:ICQ, author = "Shiro Matsumoto and Kimiko Mizutani and Atsushi Sekiguchi and Takakazu Yano and Masayuki Toyama", title = "Ab initio calculations on the quenching of excited lithium atom by molecular hydrogen. {I}", journal = j-IJQC, volume = "29", number = "4", pages = "689--699", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chunwan:1986:BPM, author = "Liu Chunwan and Hua Jianmin and Chen Zhida and Lin Zhenyang and Lu Jiaxi", title = "The bonding properties of {Mo Fe} $s$ clusters", journal = j-IJQC, volume = "29", number = "4", pages = "701--715", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bonaccorsi:1986:SDD, author = "R. Bonaccorsi and E. Scrocco and J. Tomasi", title = "Structural deformations of the {DNA} double helix in the first stages of {DNA} transcription studied with a simple model", journal = j-IJQC, volume = "29", number = "4", pages = "717--735", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hess:1986:TVT, author = "Bernd A. Hess and Robert J. Buenker and Praphull Chandra", title = "Toward the variational treatment of spin-orbit and other relativistic effects for heavy atoms and molecules", journal = j-IJQC, volume = "29", number = "4", pages = "737--753", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karna:1986:SSD, author = "S. P. Karna and F. Grein", title = "Semidiffuse states of diatomic molecules: {Configuration} interaction studies of the lowest {$^2\Sigma^+$} and {$^2\Delta$} states of {NS}, {SiF}, and {CCl}", journal = j-IJQC, volume = "29", number = "4", pages = "755--766", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See erratum \cite{Karna:1986:ESS}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dunlap:1986:LXC, author = "Brett I. Dunlap and Michael Cook", title = "{LCAO-X$\alpha$} calculations of rotational energy barriers---prototypes of chemical reactions", journal = j-IJQC, volume = "29", number = "4", pages = "767--777", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Daul:1986:CLF, author = "C. Daul and A. Goursot", title = "The calculation of ligand-field multiplet states from multiple-scattering {X$\alpha$} wave functions", journal = j-IJQC, volume = "29", number = "4", pages = "779--792", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kutzler:1986:SDP, author = "F. W. Kutzler and C. T. White and J. W. Mintmire", title = "Soliton defects in polyacetylene: {Local}-density functional results", journal = j-IJQC, volume = "29", number = "4", pages = "793--797", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harsanyi:1986:IVS, author = "L. Hars{\'a}nyi and P. Cs{\'a}sz{\'a}r and A. Cs{\'a}sz{\'a}r and J. E. Boggs", title = "Interpretation of the vibrational spectra of matrix-isolated uracil from scaled ab initio quantum mechanical force fields", journal = j-IJQC, volume = "29", number = "4", pages = "799--815", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290419", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scheiner:1986:FIP, author = "Steve Scheiner and Paul Redfern and Eric A. Hillenbrand", title = "Factors influencing proton positions in biomolecules", journal = j-IJQC, volume = "29", number = "4", pages = "817--827", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290420", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Selmani:1986:CAL, author = "A. Selmani and J. Andzelm and D. R. Salahub", title = "Chemisorption of {O} and {O$_2$} on {Ag(110)}: {An LCGTO--LSD} cluster study", journal = j-IJQC, volume = "29", number = "4", pages = "829--842", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290421", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cohen:1986:PNM, author = "Marvin L. Cohen", title = "Prediction of new materials and properties of solids", journal = j-IJQC, volume = "29", number = "4", pages = "843--854", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290422", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wojcik:1986:TII, author = "Marek J. W{\'o}jcik", title = "Theoretical interpretation of infrared spectra of the {Cl H} stretching vibration in the gaseous {(Ch$_3$)$_2$O\dottedbond{}HCl} complex", journal = j-IJQC, volume = "29", number = "4", pages = "855--865", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290423", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thomas:1986:MGV, author = "Gerald F. Thomas", title = "On the minimization of the global variance in the 1-{Reduced} local-energy matrix", journal = j-IJQC, volume = "29", number = "4", pages = "867--873", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290424", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Diarmid:1986:LVS, author = "Ruth Mc Diarmid", title = "The lower valence states of linear polyenes: {Locations} and identifications", journal = j-IJQC, volume = "29", number = "4", pages = "875--881", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290425", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Luke:1986:TES, author = "Brian T. Luke and Gilda H. Loew and A. D. McLean", title = "A theoretical examination of substituent effects on the detoxification reaction between glutathione and halogenated methanes", journal = j-IJQC, volume = "29", number = "4", pages = "883--896", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290426", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goscinski:1986:ACS, author = "Osvaldo Goscinski and Vladimiro Mujica", title = "Adiabatic coordinate separation and large {$N$}-dimensional limit in two-electron ions", journal = j-IJQC, volume = "29", number = "4", pages = "897--908", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290427", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schwarz:1986:CUDa, author = "W. H. E. Schwarz and L. Mensching and P. Valtaznos and W. {Von Niessen}", title = "A chemically useful definition of electron difference densities", journal = j-IJQC, volume = "29", number = "4", pages = "909--914", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290428", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Durand:1986:CVC, author = "Ph. Durand", title = "Core--Valence correlations and relativistic effects in heavy atoms for molecular applications", journal = j-IJQC, volume = "29", number = "4", pages = "915--935", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290429", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vela:1986:IID, author = "Alberto Vela and Andr{\'e}s Cedillo and Jos{\'e} L. G{\'a}zquez", title = "Interatomic interactions in density functional theory", journal = j-IJQC, volume = "29", number = "4", pages = "937--948", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290430", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pucci:1986:GZE, author = "R. Pucci and N. H. March", title = "Generalized {1\slash Z} expansion for heteronuclear molecules", journal = j-IJQC, volume = "29", number = "4", pages = "949--958", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290431", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Edgecombe:1986:BCP, author = "K. E. Edgecombe and R. J. Boyd", title = "Bond critical points in the electronic structures of binary hydrides", journal = j-IJQC, volume = "29", number = "4", pages = "959--973", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290432", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shim:1986:ESC, author = "Irene Shim and H. M. Nagarathna-Naik and Karl A. Gingerich", title = "Electronic structure calculations for the molecules {Si$_2$} and {Ge$_2$} using all electron ab initio {HF--CI} methods", journal = j-IJQC, volume = "29", number = "4", pages = "975--991", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290433", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katrib:1986:MBR, author = "A. Katrib and B. D. El-Issa and R. Ghodsian", title = "Multiple bonds and re(4 f) binding energies of some rhenium halides", journal = j-IJQC, volume = "29", number = "4", pages = "993--999", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290434", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sosa:1986:ICBa, author = "Carlos Sosa and H. Bernhard Schlegel", title = "Ab initio calculations on the barrier height for the hydrogen addition to ethylene and formaldehyde. {The} importance of spin projection", journal = j-IJQC, volume = "29", number = "4", pages = "1001--1015", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290435", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Xu:1986:ESC, author = "Guang-Xian Xu and K. H. Hsu and Jingqing Ren", title = "Electronic structure and chemical bonding of the dimer of bis($\eta^5$-cyclopentadienyl)ytterbium methyl", journal = j-IJQC, volume = "29", number = "4", pages = "1017--1024", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290436", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baykara:1986:HCD, author = "N. A. Baykara and J. Andzelm and D. R. Salahub and S. Z. Baykara", title = "Hydrogen chemisorption on, and diffusion through, palladium clusters", journal = j-IJQC, volume = "29", number = "4", pages = "1025--1032", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290437", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "29", number = "4", pages = "fmi--fmii", month = apr, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:49 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tennyson:1986:CSH, author = "Jonathan Tennyson and C. J. Noble and P. G. Burke", title = "Continuum states of the hydrogen molecule with the {R-Matrix} method", journal = j-IJQC, volume = "29", number = "5", pages = "1033--1042", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gaspar:1986:CRS, author = "R. G{\'a}sp{\'a}r", title = "Chairman'{S} remarks, session on systems containing heavy atoms: {Paradoxes} and problems of large-molecule and heavy-molecule calculations", journal = j-IJQC, volume = "29", number = "5", pages = "1043--1045", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barandiaran:1986:SPT, author = "Z. Barandiaran and L. Seijo and S. Huzinaga and M. Klobukowski", title = "Structure and properties of transition-metal compounds. {A} systematic study of basis set effects in ab initio {SCF} calculations", journal = j-IJQC, volume = "29", number = "5", pages = "1047--1058", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Broer:1986:HFC, author = "R. Broer and G. Aissing and W. C. Nieuwpoort and L. F. Feiner", title = "{Hartree--Fock} cluster study of interstitial transition metals in silicon", journal = j-IJQC, volume = "29", number = "5", pages = "1059--1066", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Last:1986:AFP, author = "I. Last and M. Baer", title = "Analytical fitting of potential energy surfaces for the {H$xy$} systems", journal = j-IJQC, volume = "29", number = "5", pages = "1067--1076", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fournier:1986:EHC, author = "R. Fournier and D. R. Salahub", title = "Effect of hydrogen chemisorption on the magnetism of nickel clusters", journal = j-IJQC, volume = "29", number = "5", pages = "1077--1089", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Andzelm:1986:CCP, author = "J. Andzelm and D. R. Salahub", title = "Chemisorption of {CO} on {Pd(100)}: {An} lcgto-lsd cluster study", journal = j-IJQC, volume = "29", number = "5", pages = "1091--1104", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuntz:1986:FIA, author = "P. J. Kuntz", title = "The formation of {Na$^+$} and {Na} ions from {Na*($^2$P)} atoms near a tungsten surface. {II}. {Extended} diatomics-in-molecules models", journal = j-IJQC, volume = "29", number = "5", pages = "1105--1116", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tossell:1986:SUO, author = "J. A. Tossell and J. H. Moore and J. K. Olthoff", title = "Studies of unoccupied orbitals of {BF$_3$} and {BCL$_3$} by electron transmission spectroscopy and multiple scattering {X$\alpha$} calculations", journal = j-IJQC, volume = "29", number = "5", pages = "1117--1126", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Michalska:1986:ECE, author = "D. Michalska and B. Hess and {Andes, Jr.} and L. J. Schaad", title = "The effect of correlation energy ({MP2}) on computed vibrational frequencies", journal = j-IJQC, volume = "29", number = "5", pages = "1127--1137", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hirschfelder:1986:LMR, author = "Joseph O. Hirschfelder", title = "Laser and magnetic resonance propagators", journal = j-IJQC, volume = "29", number = "5", pages = "1139--1146", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pan:1986:SNA, author = "Dao-Kai Pan and Jian-Nan Gao and Hai-Lun Lin and Ming-Bao Huang and W. H. Eugen Schwarz", title = "Some new aspects of bonding in cyclopropane", journal = j-IJQC, volume = "29", number = "5", pages = "1147--1154", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rico:1986:APT, author = "Jaime Fern{\'a}andez Rico and Rafael L{\'o}apez and Miguel Paniagua and Jose Ignacio Fern{\'a}andez-Alonso", title = "Atomic partitioning of two-center potentials for {Slater} basis", journal = j-IJQC, volume = "29", number = "5", pages = "1155--1164", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kertesz:1986:ESH, author = "Miklos Kertesz", title = "Electronic structure of highly doped conducting polymers", journal = j-IJQC, volume = "29", number = "5", pages = "1165--1176", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rao:1986:CME, author = "Gita Subba Rao and R. S. Tyagi and R. K. Mishra", title = "Calculation of the minimum energy conformation of biomolecules by using a global optimization technique. {V}. {Preferred} conformations of the thyrotropin-releasing hormone", journal = j-IJQC, volume = "29", number = "5", pages = "1177--1180", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poulain:1986:STS, author = "E. Poulain and J. Garcia-Prieto and M. E. Ruiz and O. Novaro", title = "Some theoretical studies on hydrogen molecule capture by platinum atoms", journal = j-IJQC, volume = "29", number = "5", pages = "1181--1190", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brenstein:1986:BSD, author = "Robert J. Brenstein and Steve Scheiner", title = "The basis set dependence of structures and energies of various states of cyclodisiloxane", journal = j-IJQC, volume = "29", number = "5", pages = "1191--1208", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kirtman:1986:ALS, author = "Bernard Kirtman and Celso P. Demelo", title = "Accurate local-space treatment of hydrogen bonding in large systems", journal = j-IJQC, volume = "29", number = "5", pages = "1209--1222", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290519", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hurst:1986:IFV, author = "G. J. B. Hurst and P. W. Fowler and A. J. Stone and A. D. Buckingham", title = "Intermolecular forces in {van der Waals} dimers", journal = j-IJQC, volume = "29", number = "5", pages = "1223--1239", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290520", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1986:ISI, author = "A. M. Sapse and L. M. Fugler and D. Cowburn", title = "An ab initio study of intermolecular hydrogen bonding between small peptide fragments", journal = j-IJQC, volume = "29", number = "5", pages = "1241--1251", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290521", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aida:1986:IMO, author = "Misako Aida and Chikayoshi Nagata", title = "An ab initio molecular orbital study on the stacking interaction between nucleic acid bases: {Dependence} on the sequence and relation to the conformation", journal = j-IJQC, volume = "29", number = "5", pages = "1253--1261", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290522", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taylor:1986:RSPa, author = "William J. Taylor", title = "Rayleigh--Schr{\"o}dinger perturbation theory for many-electron systems with partitioning of configurations by orders of excitation. {II}. {Analysis} of the ground state wavefunction and energy", journal = j-IJQC, volume = "29", number = "5", pages = "1263--1275", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290523", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chermette:1986:SEP, author = "H. Chermette and A. Goursot", title = "Is the self energy proportional to electronic relaxation?", journal = j-IJQC, volume = "29", number = "5", pages = "1277--1282", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290524", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Singh:1986:STI, author = "O. P. Singh and J. S. Yadav", title = "Similarity transformation of the ab initio density matrix", journal = j-IJQC, volume = "29", number = "5", pages = "1283--1290", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290525", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hohlneicher:1986:TPT, author = "Georg Hohlneicher and Michael Gutmann", title = "Two particle transition density and two particle bond order and their applications to electronic energy shifts caused by two particle interactions via geometric deformations", journal = j-IJQC, volume = "29", number = "5", pages = "1291--1302", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290526", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Huai:1986:RML, author = "Sun Huai and Tian An-min and Yan Guo-Sen", title = "Research in the method of large molecular calculations utilizing transferability of {LMO}", journal = j-IJQC, volume = "29", number = "5", pages = "1303--1324", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290527", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tyutyulkov:1986:SPN, author = "N. N. Tyutyulkov and S. C. Karabunarliev", title = "Structure and properties of nonclassical polymers. {III}. {Magnetic} characteristics at finite temperatures", journal = j-IJQC, volume = "29", number = "5", pages = "1325--1337", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290528", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumar:1986:SHE, author = "Mukesh Kumar and A. N. Tripathi and Vedene H. {Smith, Jr.}", title = "Scattering of high-energy electrons and x-rays from molecules: {The} 10-electon series {Ne}, {HF}, {H$_2$O}, {NH$_3$}, and {CH$_4$}", journal = j-IJQC, volume = "29", number = "5", pages = "1339--1349", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290529", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ruette:1986:TSH, author = "Fernando Ruette and Eduardo V. Lude{\~n}ta and Antonio Hern{\'a}ndez", title = "A theoretical study of hydrogen surface coverage over {Ni(100)}", journal = j-IJQC, volume = "29", number = "5", pages = "1351--1364", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290530", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Georgiev:1986:QTD, author = "M. Georgiev and A. Gochev and A. Diaz-Gongora", title = "Quantum theory of dielectric relaxation in polar solids", journal = j-IJQC, volume = "29", number = "5", pages = "1365--1372", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290531", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gonzaalez-Lafont:1986:TSS, author = "A. Gonz{\'a}alez-Lafont and J. M. Lluch and A. Oliva and J. Bertr{\'a}gn", title = "Theoretical study of several {Fe(H$_2$O)$_n^{2+}$} clusters at different temperatures", journal = j-IJQC, volume = "29", number = "5", pages = "1373--1382", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290532", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Savatinova:1986:DSA, author = "I. Savatinova and E. Anachkova", title = "Dynamical and structural aspects of water in potassium ferrocyanide trihydrate", journal = j-IJQC, volume = "29", number = "5", pages = "1383--1396", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290533", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brion:1986:LOL, author = "C. E. Brion", title = "Looking at orbitals in the laboratory: {The} experimental investigation of molecular wavefunctions and binding energies by electron momentum spectroscopy", journal = j-IJQC, volume = "29", number = "5", pages = "1397--1428", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290534", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smedarchina:1986:SNE, author = "Z. Smedarchina", title = "Strong nonadiabatic effects in reactions of photoisomerization", journal = j-IJQC, volume = "29", number = "5", pages = "1429--1435", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290535", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hohlneicher:1986:FSE, author = "Georg Hohlneicher and Bernd Marquardt", title = "Final state effects in the photoionization process", journal = j-IJQC, volume = "29", number = "5", pages = "1437--1455", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290536", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tachibana:1986:DPT, author = "Akitomo Tachibana and Masataka Nagaoka and Tokio Yamabe", title = "Dynamic perturbation theory of energy transfer in nonrigid molecular systems: {Vibrational} predissociation of {I$_2$He} {van der Waals} molecule", journal = j-IJQC, volume = "29", number = "5", pages = "1457--1462", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290537", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garrett:1986:TSS, author = "Bruce C. Garrett and Donald G. Truhlar", title = "Thermal and state-selected rate constant calculations for {O($^3$p) $+$ H$_2$ $\rightarrow$ OH $+$ H} and isotopic analogs", journal = j-IJQC, volume = "29", number = "5", pages = "1463--1482", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290538", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Girardeau:1986:THC, author = "M. D. Girardeau", title = "Theory of half-collision cross sections", journal = j-IJQC, volume = "29", number = "5", pages = "1483--1492", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290539", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Turner:1986:PDM, author = "Ralph Eric Turner and Masayoshi Senba and Donald J. Arseneau", title = "On the pressure dependence of the muon spin polarization in mixtures of noble gases", journal = j-IJQC, volume = "29", number = "5", pages = "1493--1502", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290540", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Friedman:1986:ESP, author = "Paul Friedman and Leland C. Allen", title = "The electronic structure of {4H}-pyran-4-one and its sulfur analogues", journal = j-IJQC, volume = "29", number = "5", pages = "1503--1512", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290541", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beveridge:1986:FES, author = "D. L. Beveridge and M. Mezei and G. Ravishanker and B. Jayaram", title = "Free energy simulations: {Applications} to the study of liquid water, hydrophobic interactions and solvent effects on conformational stability", journal = j-IJQC, volume = "29", number = "5", pages = "1513--1523", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290542", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Srivastava:1986:CDT, author = "Vipin Srivastava", title = "The case of disordered two-dimensional electron systems", journal = j-IJQC, volume = "29", number = "5", pages = "1525--1533", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290543", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Witko:1986:PCS, author = "Ma{\l}gorzata Witko and Vlasta Bona{\v{c}}i{\'c}-Kouteck{\'y}", title = "The pseudopotential-{CI} study of the interaction between ethylene and metal atoms, metal {Oxides}, and their cations {(Me $=$ Be, Mg, and Zn)}", journal = j-IJQC, volume = "29", number = "5", pages = "1535--1554", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290544", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Simonetta:1986:TAS, author = "Massimo Simonetta", title = "The theoretical approach to surface chemistry and heterogeneous catalysis", journal = j-IJQC, volume = "29", number = "5", pages = "1555--1560", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290545", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schuch:1986:MIM, author = "D. Schuch and K.-M. Chung", title = "From macroscopic irreversibility to microscopic reversibility via a nonlinear {Schr{\"o}dinger}-type field equation", journal = j-IJQC, volume = "29", number = "5", pages = "1561--1573", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290546", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Waleh:1986:CES, author = "Ahmad Waleh and Jack R. Collins and Gilda H. Loew and M. C. Zerner", title = "Calculated electronic spectra of model ferric cytochrome {P450} complexes", journal = j-IJQC, volume = "29", number = "5", pages = "1575--1589", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290547", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kohda-Sudoh:1986:PAS, author = "S. Kohda-Sudoh and S. Katagiri", title = "The proton affinity and the structure of protonated species of methylsilane", journal = j-IJQC, volume = "29", number = "5", pages = "1591--1598", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290548", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ouamerali:1986:EMC, author = "Ourida Ouamerali and Jose Gayoso", title = "{{\'E}tude} {MNDO} des compos{\'e}s conjugu{\'e}s enneagonaux. ({French}) [{MNDO} study of $n$-ary conjugated composites]", journal = j-IJQC, volume = "29", number = "5", pages = "1599--1624", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290549", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Odiot:1986:MTC, author = "S. Odiot and M. Peyrard and J. Schnur and E. Oran", title = "Molecular theory and cooperative mechanism of shock waves-induced detonations in energetic molecular crystals", journal = j-IJQC, volume = "29", number = "5", pages = "1625--1634", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290550", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cardelino:1986:ECD, author = "B. H. Cardelino and W. H. Eberhardt and R. F. Borkman", title = "Electronic charge density and mean kinetic energy of lithium orbitals in {LiH}, {LiH$^+$}, {Li$_2$}, {Li$_2^+$}, {LiH$_2^+$}, and {Li$_2$H$^+$}", journal = j-IJQC, volume = "29", number = "5", pages = "1635--1649", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290551", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1986:SAQ, author = "Per-Olov L{\"o}wdin", title = "On the state of the art of quantum chemistry", journal = j-IJQC, volume = "29", number = "5", pages = "1651--1683", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290552", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "29", number = "5", pages = "1685--1685", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290553", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "29", number = "5", pages = "fmi--fmii", month = may, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lim:1986:DSL, author = "T. K. Lim", title = "Double symmetrization and the linearly independent spin eigenfunctions", journal = j-IJQC, volume = "29", number = "6", pages = "1687--1695", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rabinowitz:1986:FEM, author = "James R. Rabinowitz and Krishnan Namboodiri and Harel Weinstein", title = "A finite expansion method for the calculation and interpretation of molecular electrostatic potentials", journal = j-IJQC, volume = "29", number = "6", pages = "1697--1704", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smeyers:1986:OFL, author = "Yves G. Smeyers and G. Delgado-Barrio and L. Doreste-Su{\'a}rez and J. M. Martin-Gonz{\'a}lez", title = "The omega function for the lithium atom", journal = j-IJQC, volume = "29", number = "6", pages = "1705--1712", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{TenHoor:1986:OPB, author = "Marten J. {Ten Hoor}", title = "On optimization procedures based upon the atomic {Thomas--Fermi} energy", journal = j-IJQC, volume = "29", number = "6", pages = "1713--1734", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1986:COA, author = "John Avery and Peter Sommer Larsen", title = "Construction of orbital angular momentum eigenfunctions for many-particle systems by harmonic projection", journal = j-IJQC, volume = "29", number = "6", pages = "1735--1743", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Das:1986:SFS, author = "Kalyan Kumar Das and D. Mukherjee and S. P. Bhattacharyya", title = "Structural features of some small carbonyls in the $^{1,3}$n$\pi$ states: {An} {MCSCF} study", journal = j-IJQC, volume = "29", number = "6", pages = "1745--1754", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dovesi:1986:RSI, author = "Roberto Dovesi", title = "On the role of symmetry in the ab initio {Hartree--Fock} linear-combination-of-atomic-orbitals treatment of periodic systems", journal = j-IJQC, volume = "29", number = "6", pages = "1755--1774", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhatia:1986:WLO, author = "Rajendra Bhatia and Kalyan K. Mukherjea", title = "On weighted {L{\"o}wdin} orthogonalization", journal = j-IJQC, volume = "29", number = "6", pages = "1775--1778", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wen:1986:CSC, author = "Zhenyi Wen", title = "Calculation of {$S_{N1 + N2} \supset S_{N1} \otimes s_{n2}$} and {$U(n_1 + n_2) \supset u(n_1) \otimes u(n_2)$} subduction coefficients by using spin graph", journal = j-IJQC, volume = "29", number = "6", pages = "1779--1787", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pakkanen:1986:MVC, author = "Tapani A. Pakkanen and Marina Lindblad and Risto S. Laitinen", title = "Molecular valence calculations based on stepwise approximations for orthogonality and core-valence interactions", journal = j-IJQC, volume = "29", number = "6", pages = "1789--1797", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gritsenko:1986:MUC, author = "O. V. Gritsenko and A. A. Bagaturjants and V. B. Kazansky", title = "Model universal {Coulomb} hole function for many-electron systems", journal = j-IJQC, volume = "29", number = "6", pages = "1799--1813", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zasukha:1986:TME, author = "V. A. Zasukha and S. V. Volkov", title = "Theory and mechanism of electron transfer at low temperatures", journal = j-IJQC, volume = "29", number = "6", pages = "1815--1824", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Colle:1986:MBS, author = "Renato Colle and Alessandro Fortunelli and Oriano Salvetti", title = "A mixed basis set of {Slater} and {Gaussian} functions for molecular calculations", journal = j-IJQC, volume = "29", number = "6", pages = "1825--1837", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1986:BRBb, author = "Jean-Louis Calais", title = "Book review: {{\booktitle{Molecular Structure and Conformation}}. Progress in Theoretical Organic Chemistry, Vol. 3, I. G. Csizmadia (Ed.). Elsevier Scientific Publishing Company, Amsterdam, 1982, 344 pp}", journal = j-IJQC, volume = "29", number = "6", pages = "1839--1839", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Csizmadia:1982:MSC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brandas:1986:BRBa, author = "Erkki Brandas", title = "Book Review: {{\booktitle{Pseudopotential Theory of Atoms and Molecules}}. By Levente Szasz. Wiley, New York, 1985}", journal = j-IJQC, volume = "29", number = "6", pages = "1841--1841", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Szasz:1985:PTA}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tapia:1986:BRB, author = "Orlando Tapia", title = "Book Review: {{\booktitle{Molecular Quantum Electrodynamics: An Introduction to Radiation-Molecular Interactions}}. By D. P. Craig and T. Thirunamachandran. Academic Press, London, 1984}", journal = j-IJQC, volume = "29", number = "6", pages = "1843--1844", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Craig:1984:MQE,Craig:1998:MQE}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seiders:1986:QMI, author = "Barbara A. Seiders and Alan A. Brimfield and Kenneth Hunter and Michael C. Zerner and George D. {Purvis III} and W. Daniel Edwards", title = "A quantum mechanical investigation into the fine specificity of the antibodies to soman, {BE2}, and {CC1}", journal = j-IJQC, volume = "29", number = "6", pages = "1845--1845", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lang:1986:A, author = "E. A. Lang", title = "Announcement", journal = j-IJQC, volume = "29", number = "6", pages = "1847--1847", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jortner:1986:A, author = "Joshua Jortner", title = "Announcement", journal = j-IJQC, volume = "29", number = "6", pages = "1849--1849", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "29", number = "6", pages = "fmi--fmii", month = jun, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560290601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:50 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Frishberg:1986:SDA, author = "C. Frishberg", title = "{Slater} determinant from atomic form factors", journal = j-IJQC, volume = "30", number = "1", pages = "1--5", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Singh:1986:CEP, author = "Jai Singh", title = "Composite exciton-phonon states in molecular crystals", journal = j-IJQC, volume = "30", number = "1", pages = "7--18", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Singh:1986:ETE, author = "Jai Singh and A. Thilagam", title = "Exciton trapping by emitting two phonons at impurities in molecular crystals", journal = j-IJQC, volume = "30", number = "1", pages = "19--25", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adawi:1986:EDN, author = "I. Adawi", title = "Electron density near an impurity", journal = j-IJQC, volume = "30", number = "1", pages = "27--29", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larsson:1986:ETC, author = "Sven Larsson", title = "Electron transport in condensed matter. {A} novel approach using quantum chemical methods", journal = j-IJQC, volume = "30", number = "1", pages = "31--49", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laurenzi:1986:CPI, author = "Bernard J. Laurenzi and Madeline F. Mall", title = "Critical phenomena in isoelectronic diatomic sequences---the 14-electron sequence", journal = j-IJQC, volume = "30", number = "1", pages = "51--75", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ferraro:1986:UIP, author = "M. B. Ferraro and M. A. Natielo and R. H. Contreras", title = "The use of inner projections of the polarization propagator to study different contributions to the magnetic shielding tensor. {I}. {Proton} deshielding by steric compression", journal = j-IJQC, volume = "30", number = "1", pages = "77--88", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Essean:1986:CIP, author = "Hanno Ess{\'e}an", title = "Correlation with independent particle orbitals", journal = j-IJQC, volume = "30", number = "1", pages = "89--95", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vogler:1986:SCS, author = "H. Vogler", title = "Structures and {$^1$H}-chemical shifts of conjugation deficient hydrocarbons", journal = j-IJQC, volume = "30", number = "1", pages = "97--107", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{dosSantos:1986:UTE, author = "M. C. dos Santos and C. P. de Melo and H. S. Brandi", title = "Unified treatment of the electronic structure of organic conjugated polymers", journal = j-IJQC, volume = "30", number = "1", pages = "109--118", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Proinov:1986:CTA, author = "E. Proinov and N. Neshev and A. Andreev", title = "The concept of the topological atom within the {MO-LCAO} approach. {I}. {On} the effective charge of an atom-in-molecule", journal = j-IJQC, volume = "30", number = "1", pages = "119--126", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Greenwood:1986:ITH, author = "H. H. Greenwood and J. S. Plant", title = "Ab initio theory of hydrogen bonding in vitamin {B$_6$}", journal = j-IJQC, volume = "30", number = "1", pages = "127--136", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ding:1986:IHB, author = "Yanbo Ding and Xiaoyuan Fu", title = "Investigation of the hydrogen bonds between formaldehyde and hydrogen halides by pseudopotential {Ab Initio} method", journal = j-IJQC, volume = "30", number = "1", pages = "137--142", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{VanGroenendael:1986:UAL, author = "A. {Van Groenendael}", title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$ {\'e}tats. {VI}. {{\'E}quations} lin{\'e}aires d'{\'e}volution positive. ({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in the study of quantum systems of $n$ states. {VI}. {Positive} linear equations of evolution]", journal = j-IJQC, volume = "30", number = "1", pages = "143--153", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Sosa:1986:ICBb, author = "Carlos Sosa and H. Bernhard Schlegel", title = "Ab initio calculations on the barrier height for the hydrogen addition to ethylene and formaldehyde. {The} importance of spin projection", journal = j-IJQC, volume = "30", number = "1", pages = "155--156", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "1", pages = "fmi--fmii", month = jul, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Casida:1986:GDM, author = "Mark E. Casida and John E. Harriman", title = "Geometry of density matrices. {VI}. {Superoperators} and unitary invariance", journal = j-IJQC, volume = "30", number = "2", pages = "161--212", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sharma:1986:MSR, author = "Krishan K. Sharma and Anil K. Aggarwal", title = "An {MNDO} study of the reaction of methanol with fulminic acid and acetonitrile oxide", journal = j-IJQC, volume = "30", number = "2", pages = "213--224", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Les:1986:TUC, author = "Andrzej Le{\'s} and Iv{\'a}n Ortega-Blake", title = "Tautomerism of uracil, cytosine, isocytosine, and some of their thio-derivatives", journal = j-IJQC, volume = "30", number = "2", pages = "225--237", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karadakov:1986:SPH, author = "Peter Karadakov", title = "The spin-projected {Hartree--Fock} method: {Direct} optimization schemes and stability conditions", journal = j-IJQC, volume = "30", number = "2", pages = "239--264", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jayasuriya:1986:MEP, author = "Keerthi Jayasuriya and David J. Williams", title = "Molecular electrostatic potential studies on antiepileptic drug: {Troxidone}", journal = j-IJQC, volume = "30", number = "2", pages = "265--273", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Otto:1986:SSD, author = "P. Otto", title = "On the stability of single- and double-stranded {DNA} helices: {The} application of the {PPT-MCF} method on large fragments of {DNA}", journal = j-IJQC, volume = "30", number = "2", pages = "275--288", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shoda:1986:ESL, author = "Takayuki Shoda and Takeshi Noro and Tsutomu Nomura and Kimio Ohno", title = "The electronic structure of low-lying excited states of two model systems of retinal", journal = j-IJQC, volume = "30", number = "2", pages = "289--302", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cammi:1986:E, author = "Roberto Cammi and Caterina Ghio and Jacopo Tomasi", title = "Erratum", journal = j-IJQC, volume = "30", number = "2", pages = "303--304", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "2", pages = "fmi--fmi", month = aug, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1986:VAS, author = "P. Csavinszky", title = "A variational approach to the solution of {Poisson}'s equation in prolate spheroidal coordinates", journal = j-IJQC, volume = "30", number = "3", pages = "305--309", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kashiwagi:1986:IMC, author = "Hiroshi Kashiwagi and Fumihiko Hirota and Umpei Nagashima and Toshikazu Takada", title = "Ab initio {MO} calculations on the chlorophyll--water system and estimation of the structure of the special pair", journal = j-IJQC, volume = "30", number = "3", pages = "311--326", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gould:1986:UGAa, author = "M. D. Gould and J. Paldus", title = "Unitary group approach to general system partitioning. {I}. {Calculation} of {$U(n = n_1 + n_2) \colon U (n_1) \times u(n_2)$} reduced matrix elements and reduced {Wigner} coefficients", journal = j-IJQC, volume = "30", number = "3", pages = "327--363", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gould:1986:UGAb, author = "M. D. Gould", title = "Unitary group approach to general system partitioning. {II}. {U} (n) matrix element evaluation in a composite basis", journal = j-IJQC, volume = "30", number = "3", pages = "365--389", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ramiarez:1986:SGG, author = "Rafael Ram{\'\i}arez and Michael C. B{\"o}hm", title = "Simple geometric generation of special points in brillouin-zone integrations. {Two}-dimensional {Bravais} lattices", journal = j-IJQC, volume = "30", number = "3", pages = "391--411", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sannigrahi:1986:ISC, author = "A. B. Sannigrahi and Sigrid D. Peyerimhoff", title = "Ab initio {SCF} and {CI} study of the electronic structure of the trichlorine radical", journal = j-IJQC, volume = "30", number = "3", pages = "413--420", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Timoneda:1986:ADP, author = "J. Juan{\'o}s I. Timoneda", title = "Alternative derivation of perturbation expansions in the projection operator formalism", journal = j-IJQC, volume = "30", number = "3", pages = "421--431", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sellers:1986:AFCa, author = "Harrell Sellers", title = "Analytical force constant calculation as a minimization problem", journal = j-IJQC, volume = "30", number = "3", pages = "433--436", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mujica:1986:BRB, author = "Vladimiro Mujica", title = "Book Review: {{\booktitle{Semi-Empirical methods of quantum chemistry}}. By Joanna Sadlej (1979), translated by Ian L. Cooper, Uppsala: Ellis Horwood Limited, 1985}", journal = j-IJQC, volume = "30", number = "3", pages = "437--437", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Sadlej:1985:SEM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schwarz:1986:CUDb, author = "W. H. E. Schwarz and L. Mensching and P. Valtazanos and W. {Von Niessen}", title = "A chemically useful definition of electron difference densities", journal = j-IJQC, volume = "30", number = "3", pages = "439--444", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ohrn:1986:ABP, author = "Yngve {\"O}hrn", title = "The agp-based polarization propagator", journal = j-IJQC, volume = "30", number = "3", pages = "445--447", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karna:1986:ESS, author = "S. P. Karna and F. Grein", title = "Erratum: {Semidiffuse states of diatomic molecules: Configuration interaction studies of the lowest $^2\Sigma^+$ and $^2\Delta$ states of NS, SiF, and CCI}", journal = j-IJQC, volume = "30", number = "3", pages = "449--449", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Karna:1986:SSD}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Perdew:1986:DFT, author = "John P. Perdew", title = "Density functional theory and the band gap problem", journal = j-IJQC, volume = "30", number = "3", pages = "451--451", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "3", pages = "fmi--fmii", month = sep, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Takahata:1986:HSS, author = "Y. Takahata", title = "A {HAM\slash 3} study of substituted benzenes", journal = j-IJQC, volume = "30", number = "4", pages = "453--465", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lledos:1986:WCI, author = "A. Lled{\'o}s and J. Bertr{\'a}n and Oscar N. Ventura", title = "Water-Chain intervention in the ketonization of vinyl alcohol. {An} ab initio study", journal = j-IJQC, volume = "30", number = "4", pages = "467--477", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Malmqvist:1986:CTD, author = "Per {\AA}ke Malmqvist", title = "Calculation of transition density matrices by nonunitary orbital transformations", journal = j-IJQC, volume = "30", number = "4", pages = "479--494", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1986:RSO, author = "Eugene S. Kryachko", title = "On the red shift of {OH} stretching region vibrations in ice and water", journal = j-IJQC, volume = "30", number = "4", pages = "495--508", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panin:1986:SME, author = "A. I. Panin and Yu. G. Khait and N. N. Gorinchoy", title = "Structure of {MCSCF} electronic energy domain", journal = j-IJQC, volume = "30", number = "4", pages = "509--541", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1986:SCD, author = "Kazuhiro Ishida", title = "Spin and charge densities from {Hiller--Sucher--Feinberg} identities. {Test} calculations for {He}, {B}, {C}, {N}, {O}, and {F} atoms and {H$_2$O}, {N$_2$}, and {CH$_3$} molecules", journal = j-IJQC, volume = "30", number = "4", pages = "543--562", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seel:1986:ASC, author = "M. Seel and G. {Del Re}", title = "Accurate {SCF} computations on hydrogen bonds: {Role} of polarization functions on the bridge hydrogen atom", journal = j-IJQC, volume = "30", number = "4", pages = "563--566", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wojcik:1986:NTI, author = "Marek J. W{\'o}jcik", title = "Note on theoretical interpretation of infrared spectra of {Cl H} and {Cl D} in gaseous {(CH$_3$)$_2$O} $\cdot$ {HCl} and {(CH$_3$)$_2$O} $\cdot$ {DCl} complexes", journal = j-IJQC, volume = "30", number = "4", pages = "567--569", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Olszewski:1986:AMQ, author = "S. Olszewski", title = "Angular-Momentum quantization applied to the {Thomas--Fermi} atom", journal = j-IJQC, volume = "30", number = "4", pages = "571--571", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taylor:1986:RSPb, author = "William J. Taylor", title = "Rayleigh--Schr{\"o}dinger perturbation theory for many-electron systems with partitioning of configurations by orders of excitation. {II}. {Analysis} of the ground-state wavefunction and energy", journal = j-IJQC, volume = "30", number = "4", pages = "573--573", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "4", pages = "fmi--fmii", month = oct, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:51 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tachibana:1986:VIO, author = "Akitomo Tachibana and Takayuki Inoue and Tokio Yamabe and Kenzi Hori", title = "Vibronic interaction in one-dimensional polymer", journal = j-IJQC, volume = "30", number = "5", pages = "575--579", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gomez-jeria:1986:TSL, author = "J. S. G{\'o}mez-jeria and Renato R. Contreras", title = "Theoretical study of lithium-fluoride and lithium-chloride ion pairs in aqueous solution. {An SCF-CNDO} \slash 2 approach including continuum solvent effects", journal = j-IJQC, volume = "30", number = "5", pages = "581--590", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zivkovic:1986:BBE, author = "Tomislav P. {\v{Z}}ivkovi{\'c}", title = "Butadiene and benzene $\pi$-electron {SCF} ground states in the bond orbital resonance theory approach", journal = j-IJQC, volume = "30", number = "5", pages = "591--615", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adamowicz:1986:EKT, author = "Ludwik Adamowicz and James C. Ellenbogen and E. A. {McCullough, Jr.}", title = "Extended-{Koopmans}-theorem approach to ab initio calculations upon the ground state and first excited state of the {LiH} anion", journal = j-IJQC, volume = "30", number = "5", pages = "617--623", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gutsev:1986:EOE, author = "G. L. Gutsev and A. I. Boldyrev and A. A. Ovchinnikov", title = "Energies of optical excitations and ionization potentials for hydrocarbons with multiple bonds according to results of the {DVM--X$_\alpha$} calculations", journal = j-IJQC, volume = "30", number = "5", pages = "625--631", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hashimoto:1986:ERH, author = "Katsufumi Hashimoto", title = "Exact results on homopolar singlet excitation energies of the {Hubbard} model for linear polyenes", journal = j-IJQC, volume = "30", number = "5", pages = "633--646", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gutsev:1986:ESA, author = "G. L. Gutsev and A. I. Boldyrev and A. A. Ovchinnikov", title = "The electronic structure of all-trans-polyenes {C$_{2n}$H$_{2n + 2}$, $n = 3{\rm --}7$}", journal = j-IJQC, volume = "30", number = "5", pages = "647--661", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gonzalez-Lafont:1986:IPF, author = "A. Gonz{\`a}lez-Lafont and J. M. Lluch and A. Oliva and J. Bertr{\'a}n", title = "An intermolecular potential function for the {Fe(II)--H$_2$O} system from ab initio calculations", journal = j-IJQC, volume = "30", number = "5", pages = "663--670", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rico:1986:TAD, author = "J. F{\'e}rnandez Rico and J. R. Alvarez-Collado and M. Paniagua and R. L{\'o}pez", title = "Transferability of atomic descriptions in molecules", journal = j-IJQC, volume = "30", number = "5", pages = "671--684", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{deAndradaESilva:1986:VAM, author = "E. A. {de Andrada E. Silva} and I. C. {da Cunha Lima} and A. {Ferreira da Silva}", title = "The variational alternant molecular orbital method for {$3$-D} and {$2$-D} hydrogen molecule", journal = j-IJQC, volume = "30", number = "5", pages = "685--694", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cole:1986:NDP, author = "Samuel J. Cole and Krzysztof Szalewicz and Rodney J. Bartlett", title = "Nitromethane dimer potential energy surface studies", journal = j-IJQC, volume = "30", number = "5", pages = "695--711", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sellers:1986:AFCb, author = "Harrell Sellers", title = "Analytical force constant calculation as a minimization problem", journal = j-IJQC, volume = "30", number = "5", pages = "713--713", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Ab, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "30", number = "5", pages = "715--715", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "5", pages = "fmi--fmii", month = nov, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Robertson:1986:QOD, author = "Donald D. Robertson and Vedene H. {Smith, Jr.} and Alfredo M. Simas and Ajit J. Thakkar", title = "The quality of $s$-orbitals determined by least-squares fitting and constrained variational methods", journal = j-IJQC, volume = "30", number = "6", pages = "717--735", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kent:1986:GUG, author = "R. D. Kent and M. Schlesinger", title = "Graphical unitary group approach to arbitrary spin representations", journal = j-IJQC, volume = "30", number = "6", pages = "737--750", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thomson:1986:TSN, author = "Colin Thomson and Christopher A. Reynolds", title = "A theoretical study of {N}-nitrosamine metabolites: {Possible} alkylating species in carcinogenesis by {N,N'-dimethyl} nitrosamine", journal = j-IJQC, volume = "30", number = "6", pages = "751--762", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bowen-Jenkins:1986:QMS, author = "Philippa E. Bowen-Jenkins and W. Graham Richards", title = "Quantitative measures of similarity between pharmacologically active compounds", journal = j-IJQC, volume = "30", number = "6", pages = "763--768", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lafemina:1986:DLG, author = "John P. Lafemina and John P. Lowe", title = "Degeneracy lifting in graphite and boron nitride: a perturbational approach", journal = j-IJQC, volume = "30", number = "6", pages = "769--782", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dinesha:1986:EEA, author = "K. V. Dinesha and Suman B. Iyer and Saraswathi Vishveshwara", title = "Energy expressions for atomic configurations in the {L--S} coupling scheme", journal = j-IJQC, volume = "30", number = "6", pages = "783--790", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gritsenko:1986:CEP, author = "O. V. Gritsenko and A. A. Bagaturyants and G. M. Zhidomirov", title = "On the construction of the effective pair correlation function with the fixed zero value at the points where two electron positions coincide", journal = j-IJQC, volume = "30", number = "6", pages = "791--797", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duch:1986:DSE, author = "W{\l}odzis{\l}aw Duch", title = "From determinants to spin eigenfunctions---a simple algorithm", journal = j-IJQC, volume = "30", number = "6", pages = "799--807", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karwowski:1986:DSO, author = "J. Karwowski and J. Kobus", title = "The {Dirac} second-order equation and an improved quasirelativistic theory of atoms", journal = j-IJQC, volume = "30", number = "6", pages = "809--819", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Takeuchi:1986:ETS, author = "Munetaka Takeuchi and Makoto Nagashima and Kiyoshi Tanaka and Shigehiro Konaka and Masao Kimura", title = "Experimental and theoretical studies of small-angle electron scattering by the water molecule", journal = j-IJQC, volume = "30", number = "6", pages = "821--830", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{TenHoor:1986:ATF, author = "Marten J. {Ten Hoor}", title = "Atomic {Thomas--Fermi} theory and electron subshell filling", journal = j-IJQC, volume = "30", number = "6", pages = "831--844", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Largo-Cabrerizo:1986:CEL, author = "A. Largo-Cabrerizo and J. Largo-Cabrerizo", title = "The correlation effects at a local level. {CI} partitions", journal = j-IJQC, volume = "30", number = "6", pages = "845--852", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moscardo:1986:DAC, author = "Federico Moscard{\'o} and Emilio San-Fabi{\'a}n", title = "Dynamical analysis of correlated wavefunctions", journal = j-IJQC, volume = "30", number = "6", pages = "853--865", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brandas:1986:BRBb, author = "Erkki Br{\"a}ndas", title = "Book Review: {{\booktitle{Mathematics and computational concepts in chemistry}}. Edited by Nenad Trinajsti{\'c}, Wiley, 1985}", journal = j-IJQC, volume = "30", number = "6", pages = "867--867", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Trinajstic:1986:MCC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1986:BRBc, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Solitons in molecular systems}}. By A. S. Davydov, Reidel, Dordrect, 1985}", journal = j-IJQC, volume = "30", number = "6", pages = "869--869", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Davydov:1985:SMS,Davydov:1991:SMS}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1986:BRBd, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Vibronic coupling}}. By G. Fischer, Academic, London, 1984}", journal = j-IJQC, volume = "30", number = "6", pages = "871--871", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Fischer:1984:VCI}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Natiello:1986:BRB, author = "Mario A. Natiello", title = "Book Review: {{\booktitle{Orbitals, terms and states}}. By Malcom Gerloch. Wiley, Chichester, 1986}", journal = j-IJQC, volume = "30", number = "6", pages = "873--873", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Gerloch:1986:OTS}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "6", pages = "fmi--fmii", month = dec, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Faxen:1986:WA, author = "Magnus Faxen", title = "Welcome address", journal = j-IJQC, volume = "30", number = "S13", pages = "1--1", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{March:1986:DEE, author = "N. H. March", title = "Differential equation for the electron density in large molecules", journal = j-IJQC, volume = "30", number = "S13", pages = "3--8", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Rabinowitz:1986:MET, author = "James R. Rabinowitz and Stephen B. Little", title = "Multipole expansion techniques for the calculation and characterization of molecular electrostatic potentials", journal = j-IJQC, volume = "30", number = "S13", pages = "9--18", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Guha:1986:SEP, author = "Sephali Guha and Devashis Majumdar", title = "A study of the electrostatic potential maps for several {GABA} ($\gamma$-aminobutyric acid) inhibitors of restricted conformation", journal = j-IJQC, volume = "30", number = "S13", pages = "19--37", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pethig:1986:IEI, author = "Ronald Pethig and Jonathan A. R. Price", title = "The influence of electrostatic interactions on the activity of lysozyme", journal = j-IJQC, volume = "30", number = "S13", pages = "39--51", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Davies:1986:APP, author = "R. H. Davies and R. D. Bagnall and B. Crooks and W. G. M. Jones", title = "Anesthetic potency and the perturbation of positive ion or proton acceptor sites in the nerve membrane", journal = j-IJQC, volume = "30", number = "S13", pages = "53--70", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kurnig:1986:AEE, author = "Ingrid J. Kurnig and Steve Scheiner", title = "Additivity of the effects of external ions and dipoles upon the energetics of proton transfer", journal = j-IJQC, volume = "30", number = "S13", pages = "71--79", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Broch:1986:CEP, author = "H. Broch and D. Vasilescu", title = "Conformation and electrostatic properties quantum determination of the new radioprotector and anticancer drug {I-102}", journal = j-IJQC, volume = "30", number = "S13", pages = "81--94", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pullman:1986:FCQ, author = "Bernard Pullman", title = "A few considerations on quinones as antitumor agents", journal = j-IJQC, volume = "30", number = "S13", pages = "95--105", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ford:1986:MMO, author = "George P. Ford and Christopher T. Smith", title = "An {MNDO} molecular orbital study of the reactions of protonated oxirane with simple nucleophiles", journal = j-IJQC, volume = "30", number = "S13", pages = "107--119", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Saran:1986:MOS, author = "Anil Saran and Lalit N. Patnaik", title = "Molecular orbital studies on nucleoside antibiotics {VIII}. {Conformation} of 5-substituted uridines", journal = j-IJQC, volume = "30", number = "S13", pages = "121--131", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Wojcik:1986:ICC, author = "Marek J. W{\'o}jcik and Akiko Y. Hirakawa and Masamichi Tsuboi", title = "Ab initio calculation of cubic force constants in formamide monomer, formamide dimer, formic acid dimer and their {D}, {D$_2$} and {D$_4$} derivatives. {An} estimation of {Fermi} resonance and intra--intermolecular coupling", journal = j-IJQC, volume = "30", number = "S13", pages = "133--142", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Collins:1986:QMS, author = "J. R. Collins and B. T. Luke and G. H. Loew", title = "Quantum mechanical study of putative intermediates in adduct formation by the suicide substrate ethylene with cytochrome {P-450}", journal = j-IJQC, volume = "30", number = "S13", pages = "143--154", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brandt:1986:IGV, author = "Richard B. Brandt and Jerome E. Laux and Steven W. Yates and Marvin R. Boots and Colin Thomson and Colin Edge", title = "Inhibition of glyoxalase {I} in vitro by coumarin and coumarin derivatives", journal = j-IJQC, volume = "30", number = "S13", pages = "155--165", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Srinivasan:1986:MMP, author = "Subhashini Srinivasan and Masayuki Shibata and Robert Rein", title = "Multistep modeling of protein structure: {Application} to bungarotoxin", journal = j-IJQC, volume = "30", number = "S13", pages = "167--174", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kothekar:1986:ILE, author = "V. Kothekar and Mrigank and A. K. Royyuru and A. Kalia", title = "Influence of local excitations in {DNA} conformation on binding of nonintercalating antitumor antibiotic in the minor groove", journal = j-IJQC, volume = "30", number = "S13", pages = "175--183", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kalia:1986:SSR, author = "A. Kalia and A. K. Royyuru and Mrigank and V. Kothekar", title = "Sequence-specific recognition of {DNA} by lac-repressor headpiece", journal = j-IJQC, volume = "30", number = "S13", pages = "185--194", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gascoyne:1986:TCP, author = "Peter R. C. Gascoyne", title = "Theoretical criteria for the production of long-lived populations of cytotoxic free radicals", journal = j-IJQC, volume = "30", number = "S13", pages = "195--207", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kohonen:1986:SOM, author = "Teuvo Kohonen", title = "Self-organization, memorization, and associative recall of sensory information by brain-like adaptive networks", journal = j-IJQC, volume = "30", number = "S13", pages = "209--221", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fox:1986:MSU, author = "Sidney W. Fox", title = "Molecular selection in a unified evolutionary sequence", journal = j-IJQC, volume = "30", number = "S13", pages = "223--235", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Prakash:1986:TRF, author = "A. S. Prakash and I. S. Zegar and H. L. Price and P. R. Lebreton", title = "Time-resolved fluorescence studies of the effects of metabolism on the {\em in vitro\/} reversible binding and accumulation of benzo[a]pyrene in {DNA}", journal = j-IJQC, volume = "30", number = "S13", pages = "237--250", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Klasinc:1986:PSB, author = "L. Klasinc and I. Novak and A. Sablji{\'c} and S. P. Mcglynn and L. Klasinc", title = "Photoelectron spectroscopy of biologically active molecules. 12. Benzene-containing amides", journal = j-IJQC, volume = "30", number = "S13", pages = "251--260", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Purvis:1986:UDG, author = "George D. {Purvis III} and Chris Culberson", title = "Using density gradients to map atomic structure on molecular isodensities", journal = j-IJQC, volume = "30", number = "S13", pages = "261--265", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Culberson:1986:ISS, author = "John C. Culberson and George D. {Purvis III} and Michael C. Zerner and Barbara A. Seiders", title = "An investigation into the specificity of soman analogues toward the antibody {BE2} using electrostatic potentials", journal = j-IJQC, volume = "30", number = "S13", pages = "267--276", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Stamato:1986:CSA, author = "Fulvia M. L. G. Stamato and Julia M. Goodfellow", title = "Computer simulations of amino acid zwitterions in solution", journal = j-IJQC, volume = "30", number = "S13", pages = "277--286", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Person:1986:KET, author = "Willis B. Person and Krystyna Szczepaniak and Marian Szczesniak", title = "Keto-enol tautomerism of guanine and 9-methylguanine monomers", journal = j-IJQC, volume = "30", number = "S13", pages = "287--289", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Varma:1986:RRC, author = "Matesh N. Varma", title = "Radiobiology and radiological and chemical physics research as an aid in development of carcinogenesis models", journal = j-IJQC, volume = "30", number = "S13", pages = "291--295", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Thomson:1986:SRD, author = "Colin Thomson", title = "Some recent developments concerning the mechanisms of tumor promotion", journal = j-IJQC, volume = "30", number = "S13", pages = "297--305", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ladik:1986:ICC, author = "J{\'a}nos J. Ladik", title = "The initiation of carcinogenesis in the cell", journal = j-IJQC, volume = "30", number = "S13", pages = "307--310", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1986:CSM, author = "Per-Olov L{\"o}wdin", title = "Comments on some models of carcinogenesis", journal = j-IJQC, volume = "30", number = "S13", pages = "311--317", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1986:Ia, author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "30", number = "S13", pages = "v--v", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1986:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "S13", pages = "fmi--fmi", day = "6--8", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:53 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lowdin:1986:Ib, author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "30", number = "S20", pages = "1--2", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:LPb, author = "Anonymous", title = "List of participants", journal = j-IJQC, volume = "30", number = "S20", pages = "3--12", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hanson:1986:RSS, author = "Harold Hanson", title = "Remarks at the {Sanibel Symposium, Marineland, Florida, March 12, 1986}", journal = j-IJQC, volume = "30", number = "S20", pages = "13--19", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bessis:1986:SCU, author = "Daniel Bessis and Carlos R. Handy", title = "Systematic construction of upper and lower bounds to the ground state energy of the {Schr{\"o}dinger} equation", journal = j-IJQC, volume = "30", number = "S20", pages = "21--32", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Campoy:1986:NSS, author = "G. Campoy and A. Palma", title = "On the numerical solution of the {Schr{\"o}dinger} equation with a polynomial potential", journal = j-IJQC, volume = "30", number = "S20", pages = "33--43", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mohallem:1986:GHW, author = "J. R. Mohallem and R. M. Dreizler and M. Trsic", title = "A {Griffin--Hill--Wheeler} version of the {Hartree--Fock} equations", journal = j-IJQC, volume = "30", number = "S20", pages = "45--55", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1986:MDH, author = "John Avery", title = "Many-dimensional hydrogenlike wave functions and the quantum mechanical many-body problem", journal = j-IJQC, volume = "30", number = "S20", pages = "57--63", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cizek:1986:LBG, author = "J. {\v{C}}{\'\i}{\v{z}}ek and E. R. Vrscay", title = "Lower bounds to ground state eigenvalues of the {Schr{\"o}dinger} equation via optimized inner projection: {Application} to quartic and sextic anharmonic oscillators", journal = j-IJQC, volume = "30", number = "S20", pages = "65--72", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Elander:1986:MRT, author = "Nils Elander and Peter Krylstedt and Erkki Br{\"a}ndas and Erik Engdahl", title = "The {$R$} matrix: {Its} relation to {Titchmarsh--Weyl} theory and its complex rotated analogue", journal = j-IJQC, volume = "30", number = "S20", pages = "73--80", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{England:1986:LSF, author = "Walter B. England and Thomas E. Sorensen and David M. Silver", title = "{Lewis} structures and {Feynman} diagrams: {The} treatment of geminal correlation in {Fock} space", journal = j-IJQC, volume = "30", number = "S20", pages = "81--94", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larson:1986:SME, author = "Everett G. Larson", title = "A solvable model with an extreme {AGP} ground state: {Relationships} among fermion pairs, pairons, and natural spin geminals", journal = j-IJQC, volume = "30", number = "S20", pages = "95--107", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baretty:1986:MSA, author = "Reinaldo Baretty and Yasuyuki Ishikawa and Jose F. Nieves", title = "Momentum space approach to the relativistic atomic structure calculations", journal = j-IJQC, volume = "30", number = "S20", pages = "109--117", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brandas:1986:MCS, author = "Erkki Br{\"a}ndas", title = "The method of complex scaling", journal = j-IJQC, volume = "30", number = "S20", pages = "119--127", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chu:1986:CSM, author = "Shih-I Chu", title = "The complex scaling method: {Application} to autoionization, predissociation, and multiphoton resonances", journal = j-IJQC, volume = "30", number = "S20", pages = "129--146", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Winkler:1986:SRR, author = "Peter Winkler", title = "Sum-rules in resonance calculations with complex coordinates", journal = j-IJQC, volume = "30", number = "S20", pages = "147--151", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klein:1986:CGT, author = "D. J. Klein", title = "Chemical graph-theoretic cluster expansions", journal = j-IJQC, volume = "30", number = "S20", pages = "153--171", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Szymanski:1986:INC, author = "Klaus Szymanski and Wolfgang R. M{\"u}ller and Jan V. Knop and Nenad Trinajsti{\'c}", title = "On the identification numbers for chemical structures", journal = j-IJQC, volume = "30", number = "S20", pages = "173--183", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1986:GTA, author = "Milan Randi{\'c} and Howard E. Zimmerman", title = "A graph theoretical approach to {M{\"o}bius} systems in organic chemistry", journal = j-IJQC, volume = "30", number = "S20", pages = "185--201", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1986:SCH, author = "Milan Randi{\'c} and Faith E. Nettleton", title = "On the stability of conjugated hydrocarbon ions", journal = j-IJQC, volume = "30", number = "S20", pages = "203--218", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kozlowski:1986:GAG, author = "Pawel M. Koz{\l}owski and Roman F. Nalewajski", title = "A graph approach to the gradient expansion of density functionals", journal = j-IJQC, volume = "30", number = "S20", pages = "219--226", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{King:1986:GTS, author = "R. Bruce King", title = "Graph theory in the study of metal cluster bonding topology: {Applications} to metal clusters having fused polyhedra", journal = j-IJQC, volume = "30", number = "S20", pages = "227--238", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boudreaux:1986:NSC, author = "Edward A. Boudreaux and Stephen P. Doussa and Mariusz Klobukowski", title = "Nonempirical self-consistent modified extended {H{\"u}ckel} calculations on heavy-metal systems. {II}. {Electronic} structure, bonding, and spectra of the binuclear {Pt$_2$(P$_2$O$_5$H$_2$)} ion", journal = j-IJQC, volume = "30", number = "S20", pages = "239--252", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krylstedt:1986:CSL, author = "Peter Krylstedt and Nils Elander and Erkki Br{\"a}ndas", title = "Complex scaled local density calculations: {A} review of recent developments", journal = j-IJQC, volume = "30", number = "S20", pages = "253--269", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1986:ILT, author = "P. Csavinszky", title = "Investigation of the {Lieb--Thirring} lower bound to the electronic kinetic energy via an energy--density functional approach", journal = j-IJQC, volume = "30", number = "S20", pages = "271--276", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sierraalta:1986:NCF, author = "An{\'\i}abal Sierraalta and Eduardo V. Lude{\~n}a", title = "The nonlocal correlation function {$G(1,2)$} in density functional theory", journal = j-IJQC, volume = "30", number = "S20", pages = "277--287", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Haberland:1986:GKS, author = "Ralf Haberland and Lothar Fritsche", title = "A generalized {Kohn--Sham} theory for low-energy electron scattering by atoms including relativistic effects", journal = j-IJQC, volume = "30", number = "S20", pages = "289--297", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pickett:1986:LDT, author = "W. E. Pickett and C. S. Wang", title = "A local density theory for dynamical correlation corrections to single particle excitations in semiconductors", journal = j-IJQC, volume = "30", number = "S20", pages = "299--311", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ferreira:1986:AVC, author = "Luiz G. Ferreira and Manoel L. {De Siqueira}", title = "Application of the variational cellular method to semiconductors: {The ZnS} case", journal = j-IJQC, volume = "30", number = "S20", pages = "313--323", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1986:DRD, author = "P. Csavinszky and A. M. Elabsy", title = "Dielectric response to a donor ion in a {Ga$_{1 - x}$Al$_x$As \bond{} GaAs-Ga$_{1 - x}$Al$_x$As} quantum well of finite depth", journal = j-IJQC, volume = "30", number = "S20", pages = "325--333", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leite:1986:BCQ, author = "Jos{\'e} R. Leite and Glaucia M. G. Oliveira and Vivil{\'\i} M. S. Gomes and Alaor S. Chaves", title = "The behavior of carriers in quantum wells in {GaAs-A$_x$Ga$_{1 - x}$As} superlattices under in-plane magnetic fields", journal = j-IJQC, volume = "30", number = "S20", pages = "335--346", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chacham:1986:NGA, author = "H. Chacham and J. L. A. Alves and M. L. {De Siqueira} and J. R. Leite", title = "The noble gas atoms as impurities in silicon", journal = j-IJQC, volume = "30", number = "S20", pages = "347--351", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ellis:1986:IDT, author = "D. E. Ellis and Diana Guenzburger and M. R. Press", title = "Impurities and defects in transition metals and their oxides", journal = j-IJQC, volume = "30", number = "S20", pages = "353--366", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{March:1986:EMM, author = "N. H. March", title = "Electron momenta in molecules and low-dimensional solids", journal = j-IJQC, volume = "30", number = "S20", pages = "367--376", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Koelling:1986:BDM, author = "D. D. Koelling", title = "The band description of materials with localizing orbitals", journal = j-IJQC, volume = "30", number = "S20", pages = "377--392", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{McMahan:1986:NMH, author = "A. K. McMahan", title = "New materials at high pressure", journal = j-IJQC, volume = "30", number = "S20", pages = "393--408", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mukherjee:1986:ALC, author = "Debashis Mukherjee", title = "Aspects of linked cluster expansion in general model space many-body perturbation and coupled-cluster theory", journal = j-IJQC, volume = "30", number = "S20", pages = "409--435", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harrison:1986:MBP, author = "Robert J. Harrison and Rodney J. Bartlett", title = "A many-body perturbation theory and coupled cluster study of the water dimer", journal = j-IJQC, volume = "30", number = "S20", pages = "437--443", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaldor:1986:DCE, author = "Uzi Kaldor", title = "Direct calculation of excitation energies by the coupled-cluster method: {Mg} and {Ar} atoms", journal = j-IJQC, volume = "30", number = "S20", pages = "445--453", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bardo:1986:TCR, author = "Richard D. Bardo", title = "Theoretical calculations of rate-determining steps for ignition of shocked, condensed nitromethane", journal = j-IJQC, volume = "30", number = "S20", pages = "455--469", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Arickx:1986:GWP, author = "F. Arickx and J. Broeckhove and W. Coene and P. {Van Leuven}", title = "{Gaussian} wave-packet dynamics", journal = j-IJQC, volume = "30", number = "S20", pages = "471--481", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baer:1986:QIO, author = "Michael Baer and Hiroki Nakamura and Donald J. Kouri", title = "Quantum infinite order sudden approximation for ion-molecule reactions: {Treatment} of the {He $+$ H} system", journal = j-IJQC, volume = "30", number = "S20", pages = "483--493", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300742", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Steckler:1986:DCK, author = "Rozeanne Steckler and Donald G. Truhlar and Bruce C. Garrett", title = "Dynamics calculations of kinetic isotope effects for the reactions of muonium atoms with {F$_2$} and {Cl$_2$}", journal = j-IJQC, volume = "30", number = "S20", pages = "495--506", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300743", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sutcliffe:1986:CFM, author = "B. T. Sutcliffe and J. Tennyson", title = "The construction and fitting of molecular potential energy surfaces and their use in vibration-rotation calculations", journal = j-IJQC, volume = "30", number = "S20", pages = "507--520", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300744", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karelson:1986:RFE, author = "Mati M. Karelson and Alan R. Katritzky and Michael C. Zerner", title = "Reaction field effects on the electron distribution and chemical reactivity of molecules", journal = j-IJQC, volume = "30", number = "S20", pages = "521--527", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300745", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klei:1986:CPE, author = "Herbert E. Klei and James J. P. Stewart", title = "Calculation of polymer elastic moduli using semiempirical methods", journal = j-IJQC, volume = "30", number = "S20", pages = "529--540", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300746", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garcia-Sucre:1986:MRQ, author = "M. Garcia-Sucre and R. Lefebvre", title = "Multichannel resonance quantization with an optical potential", journal = j-IJQC, volume = "30", number = "S20", pages = "541--546", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300747", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dayashankar:1986:EIC, author = "Dayashankar and Suk T. Suh and A. E. S. Green", title = "Electron impact cross sections and spatial aspects of electron energy degradation in water vapor", journal = j-IJQC, volume = "30", number = "S20", pages = "547--554", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300748", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Campoy:1986:BEP, author = "G. Campoy and E. Poulain and J. Morales and A. Palma", title = "Binding energies and peak intensities of light hydrocarbon molecules through {TOM I}. {Methane} and acetylene", journal = j-IJQC, volume = "30", number = "S20", pages = "555--561", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300749", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bauschlicher:1986:OTM, author = "Charles W. {Bauschlicher, Jr.}", title = "{OH}-transition metal bonding", journal = j-IJQC, volume = "30", number = "S20", pages = "563--572", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300750", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Contreras:1986:STC, author = "Renato Contreras and Arie Aizman", title = "On the {SCF} theory of continuum solvent effects representation {II}. {Quantum} chemical calculation of thermodynamic properties of some acid-base equilibria in solution", journal = j-IJQC, volume = "30", number = "S20", pages = "573--584", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300751", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{RuizDeAzua:1986:PPA, author = "M. C. {Ruiz De Azua} and A. C. Diz and C. G. Giribet and R. H. Contreras and I. D. Rae", title = "A polarization propagator analysis of through-space spin-spin coupling constants: {$^{19}$F\bond{}$^{19}$F} couplings", journal = j-IJQC, volume = "30", number = "S20", pages = "585--601", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300752", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scuseria:1986:ICT, author = "Gustavo E. Scuseria and Rub{\'e}n H. Contreras", title = "Ab initio calculations of through-space nuclear spin--spin coupling constants with the {IPPP} method", journal = j-IJQC, volume = "30", number = "S20", pages = "603--612", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300753", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fink:1986:CDM, author = "M. Fink and Y. Zhang and R. A. Bonham", title = "Charge deformation maps, molecular moments, and high-energy electron scattering", journal = j-IJQC, volume = "30", number = "S20", pages = "613--625", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300754", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ketkar:1986:XRI, author = "S. N. Ketkar and R. A. Bonham", title = "The x-ray incoherent scattering factor for molecular nitrogen as determined by high energy electron scattering", journal = j-IJQC, volume = "30", number = "S20", pages = "627--633", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300755", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumar:1986:PLO, author = "D. Kumar and L. Klasinc and P. L. Clancy and R. V. Nauman and S. P. Mcglynn", title = "Pulsed laser optogalvanic spectroscopy of nitrogen in a radiofrequency discharge", journal = j-IJQC, volume = "30", number = "S20", pages = "635--645", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300756", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Manmoto:1986:MPS, author = "Yoshinori Manmoto and Mitsuo Satoh", title = "Multiphoton processes in a solid in a doubly rotating system by {NMR}", journal = j-IJQC, volume = "30", number = "S20", pages = "647--655", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300757", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cameron:1986:MAC, author = "Alan D. Cameron and Vedene H. {Smith, Jr.} and Michael C. Baird", title = "On the mechanism of activation of coordinated olefins toward nucleophilic attack", journal = j-IJQC, volume = "30", number = "S20", pages = "657--663", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300758", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cole:1986:OIM, author = "Samuel J. Cole and George D. {Purvis III}", title = "An optimizing interpreter for multidimensional products in computational chemistry", journal = j-IJQC, volume = "30", number = "S20", pages = "665--680", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300759", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bowman:1986:RDR, author = "Joel M. Bowman", title = "Rotational distributions from resonances in {H $+$ H$_2$}", journal = j-IJQC, volume = "30", number = "S20", pages = "681--687", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300760", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gazdy:1986:VIT, author = "Bela Gazdy and David A. Micha", title = "Variationally improved transition amplitudes from time-dependent {Hartree--Fock} wave functions: {Application} to {He $+$ He$^{2+}$} collisions", journal = j-IJQC, volume = "30", number = "S20", pages = "689--697", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300761", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Trinajstic:1986:SSU, author = "Nenad Trinajsti{\'c} and Douglas J. Klein and Milan Randi{\'c}", title = "On some solved and unsolved problems of chemical graph theory", journal = j-IJQC, volume = "30", number = "S20", pages = "699--742", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300762", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1986:SCM, author = "Per-Olov L{\"o}wdin", title = "Some comments on the method of complex scaling to find physical resonance states", journal = j-IJQC, volume = "30", number = "S20", pages = "743--748", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300763", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gomes:1986:IME, author = "Vivil{\'\i} M. S. Gomes and Lucy V. C. Assali and Jos{\'e} R. Leite", title = "Ab-initio {MO} electronic structure calculations of defect-pair complexes in silicon", journal = j-IJQC, volume = "30", number = "S20", pages = "749--761", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300764", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karo:1986:MDS, author = "A. M. Karo and J. R. Hardy", title = "Molecular dynamics simulations of energy transfer in shocked molecular systems", journal = j-IJQC, volume = "30", number = "S20", pages = "763--765", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300765", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Keller:1986:FHK, author = "Jaime Keller", title = "On the formulation of the {Hohenberg--Kohn--Sham} theory", journal = j-IJQC, volume = "30", number = "S20", pages = "767--768", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300766", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1986:RAW, author = "Per-Olov L{\"o}wdin", title = "Remarks about the wave-function representability of the first-order reduced density matrices", journal = j-IJQC, volume = "30", number = "S20", pages = "769--771", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300767", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:E, author = "Anonymous", title = "Erratum", journal = j-IJQC, volume = "30", number = "S20", pages = "772--772", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300768", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Micha:1986:CTC, author = "David A. Micha", title = "Collisional time-correlation functions for molecular interactions", journal = j-IJQC, volume = "30", number = "S20", pages = "773--785", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300769", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1986:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "30", number = "S20", pages = "fmi--fmi", day = "10--15", month = mar, year = "1986", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560300701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:36:55 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Ia, author = "Anonymous", title = "Introduction", journal = j-IJQC, volume = "31", number = "1", pages = "1--1", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Banerjee:1987:DSS, author = "Ajit Banerjee and James O. Jensen", title = "Discrete spatial symmetries in energy derivatives", journal = j-IJQC, volume = "31", number = "1", pages = "3--16", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garrett:1987:RRH, author = "Bruce C. Garrett and Donald G. Truhlar", title = "Reaction rates for {O $+$ HD $\rightarrow$ OH $+$ D} and {O $+$ HD $\rightarrow$ OD $+$ H}", journal = j-IJQC, volume = "31", number = "1", pages = "17--31", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shepard:1987:GED, author = "Ron Shepard", title = "Geometrical energy derivative evaluation with {MRCI} wave functions", journal = j-IJQC, volume = "31", number = "1", pages = "33--44", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Facelli:1987:AIB, author = "Julio C. Facelli and David M. Grant and Josef Michl", title = "Analysis of the {IGLO} bond contributions to the {$^{13}$C} shielding tensors in the local bond frame", journal = j-IJQC, volume = "31", number = "1", pages = "45--55", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schatz:1987:FHE, author = "George C. Schatz and Jay K. Badenhoop and Charles W. Eaker", title = "The formation of highly excited {H} in the reaction {H$_2^+$}(v) $+$ {H$_2$} $\rightarrow$ {H} $+$ {H}", journal = j-IJQC, volume = "31", number = "1", pages = "57--63", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Linderberg:1987:RSH, author = "Jan Linderberg and Behnam Vessal", title = "Reactive scattering in hyperspherical coordinates", journal = j-IJQC, volume = "31", number = "1", pages = "65--71", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Engelking:1987:SEE, author = "P. C. Engelking and V. Vaida", title = "Symmetry effects in the electronic spectrum of ammonia at low temperature", journal = j-IJQC, volume = "31", number = "1", pages = "73--80", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gordon:1987:CBB, author = "Mark S. Gordon and Donald G. Truhlar", title = "Correlation balance in basis sets for electronic structure calculations", journal = j-IJQC, volume = "31", number = "1", pages = "81--90", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yarkony:1987:QLH, author = "David R. Yarkony", title = "On the quenching of {Li($^2p$)} by {HCl}: {Nonadiabatic} effects", journal = j-IJQC, volume = "31", number = "1", pages = "91--97", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Graham:1987:EEO, author = "Richard L. Graham and Danny L. Yeager", title = "Excitation energies, oscillator strengths, and frequency dependent polarizabilities of {Be}: {Comparison} of {TDHF}, {EOM} (second order), and {MCTDHF}", journal = j-IJQC, volume = "31", number = "1", pages = "99--112", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Obcemea:1987:FED, author = "Ceferino H. Obcemea", title = "Free energy and dispersion forces via response functions", journal = j-IJQC, volume = "31", number = "1", pages = "113--117", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shirts:1987:RDV, author = "Randall B. Shirts", title = "Rotational decoupling of vibrational modes due to rotational excitation: {Application} to a model of the {HDO} stretching motions", journal = j-IJQC, volume = "31", number = "1", pages = "119--131", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Futrell:1987:CMB, author = "Jean H. Futrell", title = "Crossed-Molecular beam studies of the state-to-state reaction dynamics of charge transfer at low and intermediate energy", journal = j-IJQC, volume = "31", number = "1", pages = "133--159", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Allan:1987:SRE, author = "Michael Allan", title = "Some recent experiments on inelastic electron-molecule collisions at low energies", journal = j-IJQC, volume = "31", number = "1", pages = "161--172", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adamowicz:1987:MCC, author = "Ludwik Adamowicz and Rodney J. Bartlett", title = "{MBPT} and coupled cluster calculation on the neon atom with numerical orbitals", journal = j-IJQC, volume = "31", number = "1", pages = "173--177", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaufman:1987:SNM, author = "Joyce J. Kaufman", title = "Symposium note: {More} new desirable computational strategies for ab initio calculations on large molecules, clusters, solids, and crystals", journal = j-IJQC, volume = "31", number = "1", pages = "179--184", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "31", number = "1", pages = "fmi--fmii", month = jan, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:52 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lim:1987:OWH, author = "Tiong-Koon Lim", title = "Orthogonal {Waller--Hartree} spin eigenfunctions", journal = j-IJQC, volume = "31", number = "2", pages = "187--194", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hall:1987:SPFa, author = "Lowell H. Hall and Bradley J. Orchard and Sukant K. Tripathy", title = "The structure and properties of flavins: {Molecular} orbital study based on totally optimized geometries. {I}. {Molecular} geometry investigations", journal = j-IJQC, volume = "31", number = "2", pages = "195--216", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hall:1987:SPFb, author = "Lowell H. Hall and Bradley J. Orchard and Sukant K. Tripathy", title = "The structure and properties of flavins: {Molecular} orbital study based on totally optimized geometries. {II}. {Molecular} orbital structure and electron distribution", journal = j-IJQC, volume = "31", number = "2", pages = "217--242", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Berrondo:1987:MEM, author = "M. Berrondo and A. Palma and J. L. L{\'o}pez-Bonilla", title = "Matrix elements for the {Morse} potential using ladder operators", journal = j-IJQC, volume = "31", number = "2", pages = "243--249", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cook:1987:OEA, author = "David B. Cook", title = "Orbital energies: {The} aufbau principle and {Koopman}'s theorem in the {UHF} method", journal = j-IJQC, volume = "31", number = "2", pages = "251--268", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nagy:1987:IEC, author = "{\'A}. Nagy", title = "Ab initio exchange-correlation parameter in the {X$\alpha$} method", journal = j-IJQC, volume = "31", number = "2", pages = "269--278", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Francisco:1987:BSG, author = "E. Francisco and L. Seijo and L. Pueyo", title = "Basis sets generation: {Relation} between {Adamowicz}'s and the maximum overlap method", journal = j-IJQC, volume = "31", number = "2", pages = "279--285", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cizek:1987:CCS, author = "Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Giuseppe {Del Re}", title = "{C. A. Coulson} and the surface energy of metals: {The} distribution of eigenvalues as a difficult problem in number theory", journal = j-IJQC, volume = "31", number = "2", pages = "287--293", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Issa:1987:MOS, author = "B. D. El-Issa and M. A. Makhyoun and B. A. Salsa'", title = "A molecular orbital study of {\em cis\/} and {\em trans\/} {diaminodichloroplatinum(II)}", journal = j-IJQC, volume = "31", number = "2", pages = "295--307", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Richard:1987:MMC, author = "Ann M. Richard and James R. Rabinowitz", title = "Modified molecular charge similarity indices for choosing molecular analogues", journal = j-IJQC, volume = "31", number = "2", pages = "309--323", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1987:BRBa, author = "Hans {\AA}gren", title = "Book Review: {{\booktitle{Comparison of Ab Initio quantum chemistry with experiment for small molecules. The state of the art}}. Edited by Rodney J. Bartlett, D. Reidel Publishing Company, 1985}", journal = j-IJQC, volume = "31", number = "2", pages = "325--325", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Bartlett:1985:CIQ}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumar:1987:PLO, author = "D. Kumar and L. Klasinc and P. L. Clancy and S. P. McGlynn", title = "Pulsed laser optogalvanic spectroscopy of xenon in {RF} discharge", journal = j-IJQC, volume = "31", number = "2", pages = "327--327", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishikawa:1987:GBD, author = "Yasuyuki Ishikawa and Reinaldo Baretty and Robert C. {Binning, Jr.}", title = "{Gaussian} basis for the {Dirac--Fock} discrete basis expansion calculation", journal = j-IJQC, volume = "31", number = "2", pages = "329--329", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Odiot:1987:MTC, author = "S. Odiot and M. Peyrard and J. Schnur and E. Oran", title = "Molecular theory and cooperative mechanism of shock waves-induced detonations in energetic molecular crystals", journal = j-IJQC, volume = "31", number = "2", pages = "331--331", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "31", number = "2", pages = "fmi--fmii", month = feb, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ohrn:1987:I, author = "Yngve {\"O}hrn", title = "Introduction", journal = j-IJQC, volume = "31", number = "3", pages = "333--333", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Anonymous:1987:PPA, author = "Anonymous", title = "Picture of professor {Andrew C}. {Hurley}", journal = j-IJQC, volume = "31", number = "3", pages = "335--335", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Anonymous:1987:PCF, author = "Anonymous", title = "Picture of the {``Cambridge five''}", journal = j-IJQC, volume = "31", number = "3", pages = "337--337", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Maslen:1987:CCH, author = "V. W. Maslen", title = "On the contribution of {A. C. Hurley} to theoretical chemistry", journal = j-IJQC, volume = "31", number = "3", pages = "339--343", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Hurley:1987:EGR, author = "A. C. Hurley and A. K. Head", title = "Explicit {Galois} resolvents for sextic equations", journal = j-IJQC, volume = "31", number = "3", pages = "345--359", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{McIsaac:1987:EWF, author = "K. McIsaac and E. N. Maslen", title = "Exact wave functions for few-particle systems: {The} choice of expansion for {Coulomb} potentials", journal = j-IJQC, volume = "31", number = "3", pages = "361--368", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Gready:1987:AIR, author = "Jill E. Gready", title = "Analysis of inter-ring coupling effects in {N}-heterobicyclic $\pi$-systems using a structural definition of aromaticity", journal = j-IJQC, volume = "31", number = "3", pages = "369--382", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Hall:1987:DSW, author = "G. G. Hall", title = "Diabatic surfaces which permute into one another", journal = j-IJQC, volume = "31", number = "3", pages = "383--391", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Riggs:1987:BSE, author = "Noel V. Riggs and Leo Radom", title = "The {3-21G(N*)} basis set: {An} economical polarized basis set for ab initio studies on nitrogen-containing molecules", journal = j-IJQC, volume = "31", number = "3", pages = "393--403", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Basch:1987:CBE, author = "H. Basch and M. Krauss and W. J. Stevens", title = "Cation binding effect on imidazole tautomerism", journal = j-IJQC, volume = "31", number = "3", pages = "405--415", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Craig:1987:CAM, author = "D. P. Craig and T. Thirunamachandran", title = "Chiral-achiral molecular coupling: {The} effect on the chiral partner", journal = j-IJQC, volume = "31", number = "3", pages = "417--424", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Epstein:1987:SP, author = "Saul T. Epstein", title = "Stationary properties of {$\delta E / \delta R$}", journal = j-IJQC, volume = "31", number = "3", pages = "425--427", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Clabo:1987:FPF, author = "D. Allen {Clabo, Jr.} and Henry F. {Schaefer 3rd}", title = "Fluorine peroxide {(FOOF)}: a continuing problem for normally reliable theoretical methods", journal = j-IJQC, volume = "31", number = "3", pages = "429--433", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Nesbet:1987:EPC, author = "R. K. Nesbet", title = "Electron pair correlation in atoms and molecules", journal = j-IJQC, volume = "31", number = "3", pages = "435--443", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Harcourt:1987:BOT, author = "Richard D. Harcourt", title = "{Bohr} orbit theory revisited. {II}. {Energies} for {1S}, {2P}, {3D}, and {4F} states of helium", journal = j-IJQC, volume = "31", number = "3", pages = "445--453", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Coxeter:1987:SIC, author = "H. S. M. Coxeter", title = "A simple introduction to colored symmetry", journal = j-IJQC, volume = "31", number = "3", pages = "455--461", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Maclagan:1987:VBC, author = "Robert G. A. R. Maclagan and Richard W. Simpson", title = "Valence-bond calculations on {N$_2$} and isoelectronic species", journal = j-IJQC, volume = "31", number = "3", pages = "463--470", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Bacskay:1987:HLB, author = "George B. Bacskay and Glenn Bryant and Noel S. Hush", title = "Hole localization and broken symmetry: a theoretical study of core electron ionization in the {Li$_2$} molecule", journal = j-IJQC, volume = "31", number = "3", pages = "471--487", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Lam:1987:GFA, author = "Miu-To Brenda Lam and Stephen T. Elbert and Klaus Ruedenberg", title = "Generation of a full active configuration space basis in terms of symmetry- and spin-adapted antisymmetrized orbital products", journal = j-IJQC, volume = "31", number = "3", pages = "489--505", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310320", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Shavitt:1987:CSE, author = "Isaiah Shavitt and Franklin B. Brown and Peter G. Burton", title = "Configuration selection and extrapolation in multireference configuration interaction calculations: {The} {(H$_2$)$_2$} {van der Waals} complex as a benchmark example", journal = j-IJQC, volume = "31", number = "3", pages = "507--520", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310321", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Taylor:1987:IPB, author = "Peter R. Taylor", title = "Integral processing in beyond-{Hartree--Fock} calculations", journal = j-IJQC, volume = "31", number = "3", pages = "521--534", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310322", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Gould:1987:BIR, author = "M. D. Gould and G. S. Chandler", title = "Bases for the irreducible representations of {O(3)} symmetry adapted to a crystallographic point group", journal = j-IJQC, volume = "31", number = "3", pages = "535--563", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310323", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Anonymous:1987:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "31", number = "3", pages = "fmi--fmii", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "4 Apr 2005", } @Article{Guseinov:1987:UAE, author = "I. I. Guseinov", title = "Unified analytical evaluation of the two-center {Coulomb} and hybrid integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "31", number = "4", pages = "565--567", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Murray:1987:CSS, author = "Jane S. Murray and Peter Politzer", title = "A computational study of some isomerization equilibria and their possible relation to vinyl chloride carcinogenicity", journal = j-IJQC, volume = "31", number = "4", pages = "569--579", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cioslowski:1987:UTS, author = "J. Cioslowski", title = "A unified theory of the stability of benzenoid hydrocarbons", journal = j-IJQC, volume = "31", number = "4", pages = "581--590", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zivkovic:1987:SRA, author = "Tomislav P. {\v{Z}}ivkovi{\'c}", title = "Selection rules in alternant systems", journal = j-IJQC, volume = "31", number = "4", pages = "591--603", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cioslowski:1987:ASC, author = "J. Cioslowski", title = "Algebraic structure count of rotagraphs", journal = j-IJQC, volume = "31", number = "4", pages = "605--609", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tewari:1987:TSC, author = "Ravindra Tewari", title = "Theoretical studies on conformational preferences of modified nucleic acid base {N$^6$-(N-glycylcarbonyl)} adenine", journal = j-IJQC, volume = "31", number = "4", pages = "611--623", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Svrcek:1987:UTM, author = "Michal Svr{\v{c}}ek and Ivan Huba{\v{c}}", title = "Unitary transformation on the model space. {Comparison} of {Brandow}'s and {Kirtman}'s versions of quasidegenerate many body perturbation theory", journal = j-IJQC, volume = "31", number = "4", pages = "625--638", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gaspar:1987:GHF, author = "R. G{\'a}sp{\'a}r and {\'A}. Nagy", title = "Generalized {Hellmann--Feynman} theorem in the {X$\alpha$} method", journal = j-IJQC, volume = "31", number = "4", pages = "639--647", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Czerminski:1987:IIR, author = "Ryszard Czermi{\'n}ski", title = "Intermolecular interactions: {Reliability} of results obtained for small hydrogen bonded dimers by {Claverie}'s method", journal = j-IJQC, volume = "31", number = "4", pages = "649--662", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bendazzoli:1987:SITa, author = "G. L. Bendazzoli and S. Evangelisti and P. Palmieri", title = "Some iterative techniques for large {CI} matrices. {I}. {Excited} eigenvalues", journal = j-IJQC, volume = "31", number = "4", pages = "663--672", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bendazzoli:1987:SITb, author = "G. L. Bendazzoli and S. Evangelisti and P. Palmieri", title = "Some iterative techniques for large {CI} matrices. {II}. {Singular} systems of linear equations", journal = j-IJQC, volume = "31", number = "4", pages = "673--684", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smith:1987:OPA, author = "C. M. Smith and G. G. Hall", title = "Optimal population analysis", journal = j-IJQC, volume = "31", number = "4", pages = "685--692", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zerner:1987:BRB, author = "Michael C. Zerner", title = "Book Review: {{\booktitle{Conceptual quantum chemistry: Models and applications}}. Special Subject Issues of Croatica Chemica Acta, Vol. 57, Nos. 5 and 6, pages 765--1674, 1984 Volumes Edited by Zvonimier B. Maksi{\'c}}", journal = j-IJQC, volume = "31", number = "4", pages = "693--693", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schuch:1987:MIM, author = "D. Schuch and K.-M. Chung", title = "From macroscopic irreversibility to microscopic reversibility via a nonlinear {Schr{\"o}dinger}-type field equation", journal = j-IJQC, volume = "31", number = "4", pages = "695--696", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "31", number = "4", pages = "fmi--fmii", month = apr, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:53 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goscinski:1987:I, author = "Osvaldo Goscinski", title = "Introduction", journal = j-IJQC, volume = "31", number = "5", pages = "697--697", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brandas:1987:ICR, author = "Erkki Br{\"a}ndas", title = "Introduction to the concept of resonances", journal = j-IJQC, volume = "31", number = "5", pages = "699--705", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Elander:1987:RNA, author = "Nils Elander", title = "Resonances in nuclear, atomic, and molecular physics---an introduction with some examples", journal = j-IJQC, volume = "31", number = "5", pages = "707--731", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sjostrand:1987:RMA, author = "Johannes Sj{\"o}strand", title = "Resonances and microlocal analysis", journal = j-IJQC, volume = "31", number = "5", pages = "733--737", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Melin:1987:IMT, author = "Anders Melin", title = "Intertwining methods in the theory of inverse scattering", journal = j-IJQC, volume = "31", number = "5", pages = "739--746", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taylor:1987:SOS, author = "Howard S. Taylor", title = "Spectroscopic order out of spectroscopic chaos", journal = j-IJQC, volume = "31", number = "5", pages = "747--753", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krylstedt:1987:SRE, author = "Peter Krylstedt and Nils Elander and Erkki Br{\"a}ndas", title = "Shape resonances in electron--molecule scattering. {A} proposed model in terms of {S} matrix poles and associated generalized quantum numbers", journal = j-IJQC, volume = "31", number = "5", pages = "755--794", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Siedentop:1987:LR, author = "Heinz K. H. Siedentop", title = "On the localization of resonances", journal = j-IJQC, volume = "31", number = "5", pages = "795--821", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Froelich:1987:ICC, author = "Piotr Froelich and Erland Sangfelt and Brian Weiner", title = "Implementation of the complex coordinate method for resonances and photoionization cross sections by means of matrix element extrapolation", journal = j-IJQC, volume = "31", number = "5", pages = "823--831", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{LHuillier:1987:MIM, author = "Anne L'Huillier and Lars J{\"o}nsson and G{\"o}ran Wendin", title = "Multiphoton ionization of many-electron atoms", journal = j-IJQC, volume = "31", number = "5", pages = "833--840", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Engelmann:1987:ABS, author = "Alejandro R. Engelmann and Mario A. Natiello and Mikael H{\"o}ghede and Erik Engdahl and Erkki Br{\"a}ndas", title = "Association of bound states of the {Coulomb} potential with resonances of the {Coulomb} potential perturbed by a barrier", journal = j-IJQC, volume = "31", number = "5", pages = "841--845", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "31", number = "5", pages = "fmi--fmii", month = may, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seybold:1987:PEA, author = "Paul G. Seybold and Kenny B. Lipkowitz", title = "The peri effect in aromatic hydrocarbon carcinogenesis: {An} empirical force field examination", journal = j-IJQC, volume = "31", number = "6", pages = "847--853", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abu-Eittah:1987:SSS, author = "R. H. Abu-Eittah and M. M. Hamed and M. M. Abdou", title = "Spectroscopic studies on some phenylethylamine drugs: {Molecular} orbital calculations", journal = j-IJQC, volume = "31", number = "6", pages = "855--869", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matos:1987:EKT, author = "J. Mauricio O. Matos and Orville W. Day", title = "The extended {Koopmans}' theorem {Fock} operator", journal = j-IJQC, volume = "31", number = "6", pages = "871--892", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Colle:1987:MBS, author = "Renato Colle and Alessandro Fortunelli and Oriano Salvetti", title = "A mixed basis set of {Slater} and {Gaussian} functions. {Integrals} with modified {Gaussian} functions", journal = j-IJQC, volume = "31", number = "6", pages = "893--901", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sanchez-Marin:1987:ASH, author = "J. Sanchez-Marin and J. P. Malrieu and D. Maynau", title = "Approximate solutions of {Heisenberg Hamiltonians}", journal = j-IJQC, volume = "31", number = "6", pages = "903--925", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nagy:1987:MEF, author = "P{\'e}ter Nagy and J{\'a}nos G. {\'A}ngy{\'a}n and G{\'a}bor N{\'a}ray-Szab{\'o} and Gustav Peinel", title = "Molecular electrostatic fields from bond fragments", journal = j-IJQC, volume = "31", number = "6", pages = "927--939", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boca:1987:IRE, author = "Roman Bo{\v{c}}a", title = "Inclusion of relativistic effects into {ZDO} methods. {I}. {A} quasi-relativistic {CNDO/1}", journal = j-IJQC, volume = "31", number = "6", pages = "941--950", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roeggen:1987:ECD, author = "I. R{\o}eggen", title = "Electron correlation described by extended geminal models: {The EXGEM} 4 and {EXGEM} 5 models", journal = j-IJQC, volume = "31", number = "6", pages = "951--974", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Luana:1987:CPE, author = "V. Lua{\~n}a and L. Pueyo", title = "Core projection effects in atomic frozen-core calculations: a numerical analysis", journal = j-IJQC, volume = "31", number = "6", pages = "975--988", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ratner:1987:BRB, author = "M. A. Ratner", title = "Book Review: {{\booktitle{Chemical applications of ultrafast spectroscopy}}. By Graham R. Fleming, Oxford, New York, 1986}", journal = j-IJQC, volume = "31", number = "6", pages = "989--989", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Fleming:1986:CAU}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zivkovic:1987:BBE, author = "Tomislav P. {\v{Z}}ivkovi{\'c}", title = "Butadiene and benzene $\pi$-electron {SCF} ground states in the bond orbital resonance theory approach", journal = j-IJQC, volume = "31", number = "6", pages = "991--991", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "31", number = "6", pages = "fmi--fmii", month = jun, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560310601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Liu:1987:MOM, author = "Frank Liu and Chang-Guo Zhan", title = "Maximum overlap method and the bond strength", journal = j-IJQC, volume = "32", number = "1", pages = "1--11", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", xxauthor = "Frank Liu (Liu Fan) and Chang-Guo Zhan", } @Article{Zhan:1987:BSB, author = "Chang-Guo Zhan and Frank Liu and Zhen-Min Hu", title = "Bond strength and bond angles for hybrid orbitals composed of arbitrary sets of orbital angular momentum quantum number", journal = j-IJQC, volume = "32", number = "1", pages = "13--18", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", xxauthor = "Chang-Guo Zhan and Frank Liu (Liu Fan) and Zhen-Min Hu", } @Article{Pollock:1987:CSR, author = "J. Kent Pollock and Douglas G. Pohl and Herbert A. Pohl", title = "Cellular spin resonance inversion by ion-induced dipoles", journal = j-IJQC, volume = "32", number = "1", pages = "19--29", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dunne:1987:MPQ, author = "Lawrence J. Dunne", title = "The ``measurement problem'' in quantum chemistry and the interpretation of phenomenological damping terms in the method of classical trajectories for nonadiabatic molecular collisions", journal = j-IJQC, volume = "32", number = "1", pages = "31--33", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1987:REL, author = "Milan Randi{\'c} and Vasanth Solomon and Stuart C. Grossman and Douglas J. Klein and Nenad Trinajsti", title = "Resonance energies of large conjugated hydrocarbons by a statistical method", journal = j-IJQC, volume = "32", number = "1", pages = "35--59", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Banerjee:1987:MEF, author = "Manas Banerjee and Sankar Prasad Bhattacharyya", title = "Molecules in an electric field: {Some} structural and spectroscopic consequences", journal = j-IJQC, volume = "32", number = "1", pages = "61--69", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matsen:1987:SFQa, author = "F. A. Matsen", title = "Spin-free quantum chemistry. {XXIII}. {The} generator-state approach", journal = j-IJQC, volume = "32", number = "1", pages = "71--86", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matsen:1987:SFQb, author = "F. A. Matsen", title = "Spin-free quantum chemistry. {XXIV}. {Freeon} many-body theory", journal = j-IJQC, volume = "32", number = "1", pages = "87--104", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matsen:1987:SFQc, author = "F. A. Matsen", title = "Spin-free quantum theory. {XXV}. {The} unitary-group formulation of fermion many-body theory", journal = j-IJQC, volume = "32", number = "1", pages = "105--122", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Reynolds:1987:HCI, author = "Christopher A. Reynolds and Colin Thomson", title = "Hydrated carbonium ions as possible nitrosamine metabolites: {An} ab initio study", journal = j-IJQC, volume = "32", number = "1", pages = "123--131", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gao:1987:PGS, author = "M. J. Gao and J. Q. Chen and J. Paldus", title = "Point group symmetry adaptation in {Clifford} algebra unitary group approach", journal = j-IJQC, volume = "32", number = "1", pages = "133--147", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "1", pages = "fmi--fmii", month = jul, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jeziorska:1987:DCH, author = "Ma{\l}gorzata Jeziorska and Bogumi{\l} Jeziorski and Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek", title = "Direct calculation of the {Hartree--Fock} interaction energy via exchange--perturbation expansion. {The} {He\dottedbond{}He} interaction", journal = j-IJQC, volume = "32", number = "2", pages = "149--164", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Basil:1987:RMP, author = "S. El-Basil and M. El-Enany", title = "A revisit to molecular path codes: {Ordering}, comparability, and similarity of benzenoid, nonbenzenoid, and monoradical hydrocarbons", journal = j-IJQC, volume = "32", number = "2", pages = "165--179", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mishra:1987:FCD, author = "P. C. Mishra and R. D. Tewari", title = "Fixed closest distance of approach dipole potential mapping: {An} effective alternative to the monopole isopotential approach", journal = j-IJQC, volume = "32", number = "2", pages = "181--191", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rubin:1987:NMT, author = "I. R. Rubin and V. A. Lobatch and B. V. Shulgin", title = "``Non-muffin tin'' corrections of the {SCF X$_\alpha$-SW} method. {I}", journal = j-IJQC, volume = "32", number = "2", pages = "193--205", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Alagona:1987:EFL, author = "Giuliano Alagona and Caterina Ghio and Roberto Cammi and Jacopo Tomasi", title = "The effect of ``full'' and ``limited'' counterpoise corrections with different basis sets on the energy and the equilibrium distance of hydrogen bonded dimers", journal = j-IJQC, volume = "32", number = "2", pages = "207--226", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Alagona:1987:DSI, author = "Giuliano Alagona and Caterina Ghio and Roberto Cammi and Jacopo Tomasi", title = "The decomposition of the {SCF} interaction energy in hydrogen bonded dimers corrected for basis set superposition errors: {An} examination of the basis set dependence", journal = j-IJQC, volume = "32", number = "2", pages = "227--248", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Koch:1987:SOO, author = "Wolfhard Koch and Friedrich Franz Seelig", title = "Symmetry orbitals for one-electron band-structure computations of one-dimensional crystals", journal = j-IJQC, volume = "32", number = "2", pages = "249--264", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jug:1987:DPS, author = "Karl Jug and R{\"u}diger Iffert and Joachim Schulz", title = "Development and parametrization of {SINDO1} for second-row elements", journal = j-IJQC, volume = "32", number = "2", pages = "265--277", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "2", pages = "fmi--fmii", month = aug, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sokalski:1987:BSE, author = "W. A. Sokalski and S. Roszak", title = "Basis set extension effects on the {He$_2$} interaction energy components", journal = j-IJQC, volume = "32", number = "3", pages = "279--293", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Esquivel:1987:AED, author = "Rodolfo O. Esquivel and Annik Vivier Bunge", title = "Accurate electron density and one-electron properties for the beryllium atom", journal = j-IJQC, volume = "32", number = "3", pages = "295--312", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zivkovic:1987:AST, author = "T. P. {\v{Z}}ivkovi{\'c}", title = "Alternant systems and their properties", journal = j-IJQC, volume = "32", number = "3", pages = "313--347", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Briels:1987:CGF, author = "W. J. Briels", title = "The {Coulomb Green}'s function in {IR$^3$} and its relation to the harmonic oscillator in {IR$^4$}", journal = j-IJQC, volume = "32", number = "3", pages = "349--359", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Alexander:1987:PSC, author = "S. A. Alexander and H. J. Monkhorst", title = "Polyatomic {SCF} calculations with numerical orbitals. {I}. {Introduction} and computational experiments on the {CYBER} 205", journal = j-IJQC, volume = "32", number = "3", pages = "361--375", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klein:1987:EPT, author = "D. J. Klein", title = "Exchange perturbation theories", journal = j-IJQC, volume = "32", number = "3", pages = "377--396", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Micha:1987:BRB, author = "David A. Micha", title = "Book Review: {{\booktitle{The theory of chemical reaction dynamics}}. Edited by D. C. Clary, D. Reidel Publishing Company, Dordrecht, Holland, 1986}", journal = j-IJQC, volume = "32", number = "3", pages = "397--397", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Clary:1986:TCR}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumar:1987:BRB, author = "Pradeep Kumar", title = "Book Review: {{\booktitle{Quantum theory of collective phenomena}}. By G. L. Sewell, Oxford University Press, 1986}", journal = j-IJQC, volume = "32", number = "3", pages = "399--399", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Sewell:1986:QTC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rosch:1987:BRB, author = "N. R{\"o}sch", title = "Book Review: {{\booktitle{Rotations, quaternions and double groups}}. By Simon L. Altmann, Clarendon Press, Oxford, 1986, 317 pp}", journal = j-IJQC, volume = "32", number = "3", pages = "401--401", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Altmann:1986:RQD,Altmann:2005:RQD}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:ESP, author = "Anonymous", title = "The electronic structure and properties of molecules and molecular crystals", journal = j-IJQC, volume = "32", number = "3", pages = "403--403", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Georgiev:1987:QTD, author = "M. Georgiev and A. Gochev and A. Diaz-Gongora", title = "Quantum theory of dielectric relaxation in polar solids", journal = j-IJQC, volume = "32", number = "3", pages = "405--406", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1987:TAB, author = "P. Csavinszky", title = "Total atomic binding energy via the density functional theory", journal = j-IJQC, volume = "32", number = "3", pages = "407--408", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mohallem:1987:GHW, author = "J. R. Mohallem and R. M. Dreizler and M. Trsic", title = "A {Griffin--Hill--Wheeler} version of the {Hartree--Fock} equations", journal = j-IJQC, volume = "32", number = "3", pages = "409--409", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "3", pages = "fmi--fmii", month = sep, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:54 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Datta:1987:MCT, author = "S. N. Datta and S. Priyadarshy", title = "A model calculation on the transport of excitation energy in a molecular crystal", journal = j-IJQC, volume = "32", number = "4", pages = "411--426", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Robertson:1987:MBS, author = "Donald D. Robertson and Vedene H. {Smith, Jr.} and Ajit J. Thakkar", title = "More on basis set quality tests", journal = j-IJQC, volume = "32", number = "4", pages = "427--434", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Luo:1987:CDM, author = "Liaofu Luo", title = "Conformation dynamics of macromolecules", journal = j-IJQC, volume = "32", number = "4", pages = "435--450", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cioslowski:1987:FDR, author = "J. Cioslowski", title = "The functional derivatives of the {Rayleigh}'s quotient---concept and applications", journal = j-IJQC, volume = "32", number = "4", pages = "451--456", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Engelmann:1987:SCS, author = "Alejandro R. Engelmann and Mario A. Natiello", title = "Some considerations on the {Sturmian} approach to {Green}'s functions", journal = j-IJQC, volume = "32", number = "4", pages = "457--466", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1987:MLSa, author = "Eugene S. Kryachko and Ivan Zh. Petkov and Mario V. Stoitsov", title = "Method of local-scaling transformations and density functional theory in quantum chemistry. {II}. {The} procedure for reproducing a many-electron wave function from x-ray diffraction data on one-electron density", journal = j-IJQC, volume = "32", number = "4", pages = "467--472", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1987:MLSb, author = "Eugene S. Kryachko and Ivan Zh. Petkov and Mario V. Stoitsov", title = "Method of local-scaling transformations and density functional theory in quantum chemistry. {III}. {The} energy density functional: {Spin}-restricted approach", journal = j-IJQC, volume = "32", number = "4", pages = "473--489", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Polansky:1987:SPN, author = "O. E. Polansky and P. Schuster and C. I. Ivanov and N. Tyutyulkov", title = "Structure and properties of nonclassical polymers. {V}. {On} a class of nonalternant polymers with localized nonbonding bands", journal = j-IJQC, volume = "32", number = "4", pages = "491--499", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tomasek:1987:SQR, author = "Mojm{\'\i}r Tom{\'a}{\v{s}}ek and {\v{S}}t{\v{e}}p{\'a}n Pick", title = "Simple qualitative rules to study the surface electronic structure of some binary crystals", journal = j-IJQC, volume = "32", number = "4", pages = "501--509", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zuniga:1987:HST, author = "J. Z{\'u}{\~n}iga and A. Hidalgo and F. Bernab{\'e} and A. Fuster and A. Requena", title = "Hypervirial {SCF} treatment for vibrational energy levels of triatomic molecules", journal = j-IJQC, volume = "32", number = "4", pages = "511--516", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carbo:1987:LMS, author = "Ramon Carb{\'o} and Lloren{\c{c}} Domingo", title = "{LCAO}--{MO} similarity measures and taxonomy", journal = j-IJQC, volume = "32", number = "4", pages = "517--545", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1987:BRBb, author = "Hans {\AA}gren", title = "Book Review: {{\booktitle{Geometrical derivatives of energy surfaces and molecular properties}}. Edited by Poul J{\o}rgensen and Jack Simons, D. Reidel publishing company, Dordrecht, 1986}", journal = j-IJQC, volume = "32", number = "4", pages = "547--547", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Jorgensen:1986:GDE}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1987:BRBc, author = "Hans {\AA}gren", title = "Book Review: {{\booktitle{Handbook of Gaussian basis sets: A compendium for ab-initio molecular orbital calculations}}. By Raymond Poirier, Roy Kari, and Imre Csizmadia. Elsevier science publishers B.V., Amsterdem, 1985}", journal = j-IJQC, volume = "32", number = "4", pages = "549--549", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Poirier:1985:HGB}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "4", pages = "fmi--fmii", month = oct, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guner:1987:PEM, author = "O. F. Guner and D. D. Shillady and R. M. Ottenbrite and B. K. Rao and E. Yurtsever", title = "Pair-excitation {MCSCF} treatment of small molecules in an optimized {Slater--Transform--Preuss} basis set", journal = j-IJQC, volume = "32", number = "5", pages = "551--562", month = nov, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Varandas:1987:DMB, author = "A. J. C. Varandas", title = "The double many-body expansion of potential energy surfaces from interacting {$^2$S} atoms", journal = j-IJQC, volume = "32", number = "5", pages = "563--574", month = nov, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sinha:1987:GVC, author = "S. K. Sinha and R. Ghosh", title = "A gauge-variational calculation of molecular diamagnetic susceptibility", journal = j-IJQC, volume = "32", number = "5", pages = "575--589", month = nov, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1987:LDP, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro", title = "On the linearly driven parametric oscillator", journal = j-IJQC, volume = "32", number = "5", pages = "591--594", month = nov, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Patnaik:1987:CPD, author = "Lalit N. Patnaik and Sarojini Das", title = "Conformation of p-dimethylamino aza styryl dyes", journal = j-IJQC, volume = "32", number = "5", pages = "595--612", month = nov, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vrscay:1987:RSPa, author = "Edward R. Vrscay", title = "{Rayleigh--Schr{\"o}dinger} perturbation expansions for a hydrogen atom in a polynomial perturbation", journal = j-IJQC, volume = "32", number = "5", pages = "613--620", month = nov, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "5", pages = "fmi--fmii", month = nov, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zivkovic:1987:SIA, author = "T. P. {\v{Z}}ivkovi{\'c}", title = "Spin-Independent alternant systems", journal = j-IJQC, volume = "32", number = "6", pages = "621--653", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gomes:1987:ITE, author = "V. M. S. Gomes and G. M. G. Oliveira and J. R. Leite and A. S. Chaves", title = "Intersubband transition energies in quantum wells in $n$-Type {GaAs-Al$_x$Ga$_{1 - x}$As} heterostructures", journal = j-IJQC, volume = "32", number = "6", pages = "655--661", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vinette:1987:RIP, author = "Francine Vinette and Jiri Cizek and Edward R. Vrscay", title = "Renormalized inner projection---a case study: {The} octic oscillator", journal = j-IJQC, volume = "32", number = "6", pages = "663--667", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumicaak:1987:SAA, author = "Juraj Kumi{\v{c}}{\'a}ak and Erkki Br{\"a}ndas", title = "Some aspects of approach to equilibrium in classical and quantum systems", journal = j-IJQC, volume = "32", number = "6", pages = "669--683", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Toro-Labbe:1987:ICM, author = "A. Toro-Labbe and C. Cardenas", title = "The intramolecular conversion of monothioformic acid: {An} ab initio study", journal = j-IJQC, volume = "32", number = "6", pages = "685--697", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kucar:1987:MCD, author = "Jasna Ku{\v{c}}ar and Milica Pavlovi{\'c} and Josip Hendekovi{\'c}", title = "A method for constructing diabatic states by interpolation on the reduced density matrix", journal = j-IJQC, volume = "32", number = "6", pages = "699--704", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pavlovic:1987:VCD, author = "Milica Pavlovi{\'c} and Jasna Ku{\v{c}}ar and Josip Hendekovi{\'c}", title = "Variational construction of diabatic states", journal = j-IJQC, volume = "32", number = "6", pages = "705--710", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pavlides:1987:SPE, author = "P. Pavlides and K. D. Sales", title = "Spin-Projected {EHF} equations", journal = j-IJQC, volume = "32", number = "6", pages = "711--722", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:SS, author = "Anonymous", title = "{Sanibel Symposium}", journal = j-IJQC, volume = "32", number = "6", pages = "723--723", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "6", pages = "fmi--fmii", month = dec, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fox:1987:MPA, author = "Sidney Fox", title = "In memory of {Professor Albert Szent-Gy{\"o}rgyi}", journal = j-IJQC, volume = "32", number = "S14", pages = "1--1", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ladik:1987:ASG, author = "J{\'a}nos J. Ladik", title = "{Albert Szent-Gy{\"o}rgyi}'s impact on theoretical biophysics", journal = j-IJQC, volume = "32", number = "S14", pages = "3--7", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Jhon:1987:SRC, author = "Mu Shik Jhon and Per-Olov L{\"o}wdin", title = "Some remarks on certain magnetic properties of water in the study of cancer", journal = j-IJQC, volume = "32", number = "S14", pages = "9--14", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Chen:1987:IBA, author = "Kai-Xian Chen and Nohad Gresh and Bernard Pullman", title = "Intercalative binding and antitumor activity of bisantrene and derivatives", journal = j-IJQC, volume = "32", number = "S14", pages = "15--25", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{DelBene:1987:BSC, author = "Janet E. {Del Bene}", title = "Basis set and correlation effects on computed negative ion hydrogen bond energies of the complexes {AH$_n$ $\cdot$ AH$_{n-1}$}$^{-1}$: {AH$_n$NH$_3$}, {OH$_2$}, and {FH}", journal = j-IJQC, volume = "32", number = "S14", pages = "27--35", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Kaufman:1987:IMCa, author = "Joyce J. Kaufman and P. C. Hariharan and Szczepan Roszak and P. B. Keegstra", title = "Ab initio {MRD-CI} calculations on protonated cyclic ethers. {I}. {Protonation} pathways involve multipotential surfaces (protonation of oxetane). {II}. {Differences} from {SCF} in dominant configurations upon opening non-protonated oxirane rings (epoxides)", journal = j-IJQC, volume = "32", number = "S14", pages = "37--46", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Kurnig:1987:IIS, author = "Ingrid J. Kurnig and Steve Scheiner", title = "Ab initio investigation of the structure of hydrogen halide-amine complexes in the gas phase and in a polarizable medium", journal = j-IJQC, volume = "32", number = "S14", pages = "47--56", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Ford:1987:MMO, author = "George P. Ford and Christopher T. Smith", title = "An {MNDO} molecular orbital study of the reactions of protonated oxirane with guanine", journal = j-IJQC, volume = "32", number = "S14", pages = "57--64", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Cieplak:1987:AQM, author = "Piotr Cieplak and U. Chandra Singh and Peter A. Kollman", title = "Application of the quantum mechanics and free energy perturbation methods to study molecular processes", journal = j-IJQC, volume = "32", number = "S14", pages = "65--74", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Loew:1987:SDD, author = "Gilda Loew and Jack Collins and Lek Chantranupong and Ahmad Waleh", title = "Spin density distribution in oxygen-liganded model heme proteins: {Predictions} of {$^{17}$O} hyperfine broadening of {ESR} spectra of metmyoglobin, cytochrome {C} peroxidase, catalase, and cytochrome {P450}", journal = j-IJQC, volume = "32", number = "S14", pages = "75--83", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Dory:1987:EGE, author = "Magdalena Dory and Joseph Delhalle and Joseph G. Fripiat and Jean-Marie Andre", title = "Equilbrium geometry and electrical polarizability of formic acid, formamide and their cyclic hydrogen-bonded pairs", journal = j-IJQC, volume = "32", number = "S14", pages = "85--103", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Hodgkin:1987:MSB, author = "Edward E. Hodgkin and W. Graham Richards", title = "Molecular similarity based on electrostatic potential and electric field", journal = j-IJQC, volume = "32", number = "S14", pages = "105--110", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sokalski:1987:LCA, author = "W. A. Sokalski and P. C. Hariharan and Joyce J. Kaufman", title = "Library of cumulative atomic multipole moments. {I}. {Nucleic} acid bases", journal = j-IJQC, volume = "32", number = "S14", pages = "111--126", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Mezey:1987:GTS, author = "Paul G. Mezey", title = "Group theory of shapes of asymmetric biomolecules", journal = j-IJQC, volume = "32", number = "S14", pages = "127--132", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Arteca:1987:MCM, author = "Gustavo A. Arteca and Paul G. Mezey", title = "A method for the characterization of molecular conformations", journal = j-IJQC, volume = "32", number = "S14", pages = "133--147", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Vasilescu:1987:MSA, author = "D. Vasilescu and R. Viani", title = "Molecular similarity in aminothiol radioprotectors: a {Randi{\v{c}}} graph approach", journal = j-IJQC, volume = "32", number = "S14", pages = "149--165", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Conrad:1987:WMI, author = "Michael Conrad", title = "The water-membrane interface as a substrate for {H$^+$\bond{}H$^+$} superflow", journal = j-IJQC, volume = "32", number = "S14", pages = "167--188", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Kong:1987:SPT, author = "Young Shik Kong and Mu Shik Jhon and Per-Olov L{\"o}wdin", title = "Studies on proton transfers in water clusters and {DNA} base pairs", journal = j-IJQC, volume = "32", number = "S14", pages = "189--209", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Dijkman:1987:PCC, author = "Johannes P. Dijkman and Roman Osman and Harel Weinstein", title = "Practical considerations in calculations of the proton transfer in a model active site of papain", journal = j-IJQC, volume = "32", number = "S14", pages = "211--219", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Davies:1987:DRM, author = "R. H. Davies", title = "Drug and receptors in molecular biology", journal = j-IJQC, volume = "32", number = "S14", pages = "221--243", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Randic:1987:SAS, author = "Milan Randi{\'c} and Borka Jerman-Bla{\v{z}}i{\v{c}} and Dennis H. Rouvray and Paul G. Seybold and Stuart C. Grossman", title = "The search for active substructures in structure-activity studies", journal = j-IJQC, volume = "32", number = "S14", pages = "245--260", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Urry:1987:EEF, author = "Dan W. Urry", title = "Entropic elastomeric force in protein structure\slash function", journal = j-IJQC, volume = "32", number = "S14", pages = "261--280", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Srinivasan:1987:MMP, author = "Subhashini Srinivasan and Masayuki Shibata and Mihir Roychoudhury and Robert Rein", title = "Multistep modeling of protein structure: {Application} towards refinement of {tyr-tRNA} synthetase", journal = j-IJQC, volume = "32", number = "S14", pages = "281--288", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Sundaralingam:1987:SAH, author = "M. Sundaralingam and Y. C. Sekharudu and N. Yathindra and V. Ravichandran", title = "Stabilization of alpha helices by ion pairs", journal = j-IJQC, volume = "32", number = "S14", pages = "289--296", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Porath:1987:TAN, author = "Jerker Porath and T. William Hutchens", title = "Thiophilic adsorption: {A} new kind of molecular interaction revealed by chromatography", journal = j-IJQC, volume = "32", number = "S14", pages = "297--315", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Klasinc:1987:PSB, author = "L. Klasinc and B. Kova{\v{c}} and A. Sablji{\'c} and S. P. McGlynn", title = "Photoelectron spectroscopy of biologically active molecules. 14. {Some} analgesic-antipyretic and anti-inflammatory agents", journal = j-IJQC, volume = "32", number = "S14", pages = "317--324", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Bogdanov:1987:UWI, author = "B. Bogdanov and S. Nikoli{\'c} and A. Sablji{\'c} and N. Trinajsti{\'c} and S. Carter", title = "On the use of the weighted identification numbers in the {QSAR} study of the toxicity of aliphatic ethers", journal = j-IJQC, volume = "32", number = "S14", pages = "325--330", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Andrew:1987:HIN, author = "E. Raymond Andrew", title = "Human images by nuclear magnetic resonance", journal = j-IJQC, volume = "32", number = "S14", pages = "331--339", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Hori:1987:PMC, author = "Kenzi Hori and Joseph N. Kushick and Alan Factor and Harel Weinstein", title = "Parameters and mechanisms of calcium binding to peptides and proteins", journal = j-IJQC, volume = "32", number = "S14", pages = "341--345", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Fox:1987:PAT, author = "Sidney W. Fox and Franz Hefti and Jukka Hartikka and Emmanuel Junard and Alexander T. Przybylski and Graham Vaughan", title = "Pharmacological activities in thermal proteins: {Relationships} in molecular evolution", journal = j-IJQC, volume = "32", number = "S14", pages = "347--349", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1987:Ib, author = "Anonymous", title = "Introduction", journal = j-IJQC, volume = "32", number = "S14", pages = "v--v", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Anonymous:1987:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "S14", pages = "fmi--fmi", day = "14", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:41:53 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "16 Apr 2008", } @Article{Lowdin:1987:I, author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "32", number = "S21", pages = "1--1", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:LP, author = "Anonymous", title = "List of participants", journal = j-IJQC, volume = "32", number = "S21", pages = "3--11", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Faxen:1987:RSS, author = "Magnus Faxen", title = "Remarks at the {Sanibel Symposium, Marineland, Florida, March 18, 1987}", journal = j-IJQC, volume = "32", number = "S21", pages = "13--14", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fritsche:1987:TCM, author = "L. Fritsche", title = "Theory of condensed matter and new materials", journal = j-IJQC, volume = "32", number = "S21", pages = "15--29", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Louie:1987:TQE, author = "Steven G. Louie and Mark S. Hybertsen", title = "Theory of quasiparticle energies: {Band} gaps and excitation spectra in solids", journal = j-IJQC, volume = "32", number = "S21", pages = "31--44", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Padjen:1987:QCD, author = "R. Padjen and D. Paquet and F. Bonnouvrier", title = "A quasiparticle calculation of the dispersion curves of gallium arsenide based on a full {Hartree--Fock} approximation", journal = j-IJQC, volume = "32", number = "S21", pages = "45--53", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mancini:1987:PGF, author = "F. Mancini and M. Marinaro and Y. Nakano", title = "$n$-{Point} {Green}'s functions in the {Anderson} model", journal = j-IJQC, volume = "32", number = "S21", pages = "55--64", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fazzio:1987:PST, author = "A. Fazzio", title = "Progress in the study of transition metal impurities in {III--V} and {II--VI} materials", journal = j-IJQC, volume = "32", number = "S21", pages = "65--72", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mota:1987:PNU, author = "Ronaldo Mota and Adalberto Fazzio", title = "On the possibility of negative {U} systems for transition metals impurities in semiconductors", journal = j-IJQC, volume = "32", number = "S21", pages = "73--78", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1987:DRA, author = "P. Csavinszky and A. M. Elabsy", title = "Dielectric response to an acceptor ion in a {Ga$_{1 - x}$A1$_x$As\slash GaAs\slash Ga$_{1 - x}$A1$_x$As} quantum well", journal = j-IJQC, volume = "32", number = "S21", pages = "79--87", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Assali:1987:GSE, author = "L. V. C. Assali and J. R. Leite", title = "Ground state electronic properties of {Fe--B} complex pair in silicon", journal = j-IJQC, volume = "32", number = "S21", pages = "89--97", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DaSilva:1987:IHM, author = "E. Z. {Da Silva} and C. A. Kuhnen", title = "The influence of hydrogen in the magnetism of {Pd$_3$Fe}", journal = j-IJQC, volume = "32", number = "S21", pages = "99--103", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lino:1987:BSS, author = "A. T. Lino and E. K. Takahashi and J. R. Leite and A. C. Ferraz", title = "Band structure of silicon by the self-consistent variational cellular method", journal = j-IJQC, volume = "32", number = "S21", pages = "105--113", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Delhalle:1987:PAR, author = "Joseph Delhalle and Jean-Louis Calais", title = "Pathological aspects of restricted {Hartree--Fock} band calculations for metallic chains", journal = j-IJQC, volume = "32", number = "S21", pages = "115--129", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mintmire:1987:BZT, author = "J. W. Mintmire and C. T. White", title = "{Brillouin} zone treatment in total energy calculations of {Peierls} distorted chains", journal = j-IJQC, volume = "32", number = "S21", pages = "131--136", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Imamura:1987:PAA, author = "Akira Imamura and Yuriko Aoki", title = "Perturbational approach to aperiodicity of polymer systems", journal = j-IJQC, volume = "32", number = "S21", pages = "137--151", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duke:1987:SAC, author = "C. B. Duke and A. Paton and W. R. Salaneck", title = "Spectroscopic analysis of the conformations of polyaniline oligomers", journal = j-IJQC, volume = "32", number = "S21", pages = "153--162", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lee:1987:EAF, author = "Yong S. Lee and Miklos Kertesz", title = "The effect of additional fused rings on the stabilities and the band gaps of heteroconjugated polymers", journal = j-IJQC, volume = "32", number = "S21", pages = "163--170", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Keller:1987:DFT, author = "Jaime Keller and Eduardo Lude{\~n}a", title = "Density functional theory formalism", journal = j-IJQC, volume = "32", number = "S21", pages = "171--180", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tachibana:1987:DFR, author = "Akitomo Tachibana", title = "Density functional rationale of chemical reaction coordinate", journal = j-IJQC, volume = "32", number = "S21", pages = "181--190", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mezey:1987:RPR, author = "Paul G. Mezey", title = "Reflection properties of reaction paths in the reduced nuclear configuration space", journal = j-IJQC, volume = "32", number = "S21", pages = "191--198", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adelman:1987:GLT, author = "Steven A. Adelman", title = "Generalized {Langevin} theory for many-body problems in chemical dynamics: {Explicit} coordinate motion in molecular solvents", journal = j-IJQC, volume = "32", number = "S21", pages = "199--215", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jain:1987:SFE, author = "Arvind Kumar Jain and A. N. Tripathi and Vedene H. {Smith, Jr.} and Ajit J. Thakkar", title = "Scattering of fast electrons and {X}-rays from {CO$_2$} molecules", journal = j-IJQC, volume = "32", number = "S21", pages = "217--227", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Srivastava:1987:CTC, author = "Deepak Srivastava and David A. Micha", title = "Collisional time correlation function approach to the interaction of light with a polyatomic system", journal = j-IJQC, volume = "32", number = "S21", pages = "229--237", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stodden:1987:GWF, author = "C. D. Stodden and D. A. Micha", title = "Generating wave functions from classical trajectory calculations: {The} divergence of streamlines", journal = j-IJQC, volume = "32", number = "S21", pages = "239--244", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blum:1987:KCT, author = "L. Blum and M. Quijada and P. P. Schmidt", title = "Kinetics of charge transfer at metal electrolyte interfaces: {From} classical to quantum statistics", journal = j-IJQC, volume = "32", number = "S21", pages = "245--249", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Inokuti:1987:TED, author = "Mitio Inokuti and Michael A. Dillon and Mineo Kimura", title = "Theory of electron degradation and yields of initial molecular species produced by ionizing radiation", journal = j-IJQC, volume = "32", number = "S21", pages = "251--266", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sosa:1987:ICH, author = "Carlos Sosa and H. Bernhard Schlegel", title = "Ab initio calculations on {H $+$ C$_2$H$_2$ $\rightarrow$ C$_2$H$_3$} using unrestricted {M{\o}ller--Plesset} perturbation theory with spin projection", journal = j-IJQC, volume = "32", number = "S21", pages = "267--282", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Feng:1987:TAP, author = "Jikang Feng and Xuehe Zheng and Michael C. Zerner", title = "A theoretical analysis of photoaddition reactions of hydroxylazoaromatic compounds and the related thione analogs with olefins", journal = j-IJQC, volume = "32", number = "S21", pages = "283--295", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Manson:1987:EEC, author = "Steven T. Manson and John H. Miller", title = "Electron ejection cross sections in electron and ion impact ionization: {Ab} initio and semiempirical calculations", journal = j-IJQC, volume = "32", number = "S21", pages = "297--306", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nogueira:1987:SRT, author = "Jos{\'e} Carlos Nogueira and Jos{\'e} Eduardo Chaguri", title = "Semiempirical relationship for the total cross section for electron scattering in atoms and molecules", journal = j-IJQC, volume = "32", number = "S21", pages = "307--311", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rips:1987:ETM, author = "Ilya Rips and Joshua Jortner", title = "Electron transfer in a microscopically inhomogeneous medium", journal = j-IJQC, volume = "32", number = "S21", pages = "313--319", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Deumens:1987:DAE, author = "E. Deumens and Y. {\"O}hrn and L. Lathouwers", title = "A dynamical approach to electron transfer reactions", journal = j-IJQC, volume = "32", number = "S21", pages = "321--339", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mikkelsen:1987:ETR, author = "Kurt V. Mikkelsen and Mark A. Ratner", title = "Electron transfer reactions dynamically coupled to a dielectric medium: {Orientational} effects and bridge assistance", journal = j-IJQC, volume = "32", number = "S21", pages = "341--354", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mola:1987:TCC, author = "E. E. Mola and J. L. Vicente", title = "Theoretical calculation of the capacity of an electrode\slash liquid electrolyte interface", journal = j-IJQC, volume = "32", number = "S21", pages = "355--362", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ritchie:1987:LRI, author = "R. H. Ritchie and J. R. Manson", title = "Long-range interactions between probes, particles, and surfaces", journal = j-IJQC, volume = "32", number = "S21", pages = "363--375", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lefebvre:1987:CPD, author = "R. Lefebvre and M. Garcia-Sucre", title = "Complex perturbation and deperturbation procedures applied to photofragmentation cross-section calculations", journal = j-IJQC, volume = "32", number = "S21", pages = "377--387", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gianturco:1987:RPD, author = "F. A. Gianturco and G. Delgado-Barrio and O. Roncero and P. Villarreal", title = "Rotational predissociation dynamics in weakly bound molecular systems: {The ArN$_2$} and {ArO$_2$} examples", journal = j-IJQC, volume = "32", number = "S21", pages = "389--405", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lohr:1987:CDM, author = "Lawrence L. Lohr", title = "Centrifugal distortions in molecules: {An} ab initio approach with application to water", journal = j-IJQC, volume = "32", number = "S21", pages = "407--415", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishikawa:1987:SID, author = "Yasuyuki Ishikawa and Wilfredo Rodriguez and S. A. Alexander", title = "Solution of the integral {Dirac} equation in momentum space", journal = j-IJQC, volume = "32", number = "S21", pages = "417--423", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Delhalle:1987:TFN, author = "Joseph Delhalle and Mireille Defranceschi", title = "Toward fully numerical evaluation of momentum space {Hartree--Fock} wave functions. {Numerical} experiments on the {He} atom", journal = j-IJQC, volume = "32", number = "S21", pages = "425--433", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320742", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Casida:1987:HFE, author = "Mark E. Casida and John E. Harriman and James L. Anchell", title = "The {Husimi} function for electron distributions", journal = j-IJQC, volume = "32", number = "S21", pages = "435--456", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320743", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beck:1987:EAS, author = "Donald R. Beck and Ziyong Cai and George Aspromallis", title = "Electron affinities of states of {Sc} and {Cu}", journal = j-IJQC, volume = "32", number = "S21", pages = "457--468", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320744", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ortiz:1987:AEP, author = "J. V. Ortiz", title = "Applying electron propagator theory to electron affinities", journal = j-IJQC, volume = "32", number = "S21", pages = "469--473", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320745", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Geertsen:1987:CSS, author = "Jan Geertsen and Jens Oddershede and Gustavo E. Scuseria", title = "Calculation of spectra and spin--spin coupling constants using a coupled--cluster polarization propagator method", journal = j-IJQC, volume = "32", number = "S21", pages = "475--485", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320746", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sekino:1987:CCE, author = "Hideo Sekino and Rodney J. Bartlett", title = "Coupled-cluster evaluation of geometrical derivatives of properties using nonrelaxed orbitals", journal = j-IJQC, volume = "32", number = "S21", pages = "487--493", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320747", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scuseria:1987:AEE, author = "Gustavo E. Scuseria and Andrew C. Scheiner and Julia E. Rice and Timothy J. Lee and Henry F. {Schaefer III}", title = "Analytic evaluation of energy gradients for the single and double excitation coupled cluster ({CCSD}) wave function: {A} comparison with configuration interaction ({CCSD}, {CISDT}, and {CISDTQ}) results for the harmonic vibrational frequencies, infrared intensities, dipole moment, and inversion barrier of ammonia", journal = j-IJQC, volume = "32", number = "S21", pages = "495--501", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320748", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Williamson:1987:GOO, author = "Rodney L. Williamson and Michael B. Hall", title = "Geometry optimization of organometallic complexes: {A} study of basis sets", journal = j-IJQC, volume = "32", number = "S21", pages = "503--512", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320749", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guldberg:1987:NSG, author = "Annette Guldberg and Sten Rettrup and Gian Luigi Bendazzoli and Paolo Palmieri", title = "A new symmetric group program for direct configuration interaction studies of molecules", journal = j-IJQC, volume = "32", number = "S21", pages = "513--521", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320750", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishikawa:1987:UEN, author = "Yasuyuki Ishikawa and H. M. Quiney", title = "On the use of an extended nucleus in {Dirac--Fock} {Gaussian} basis set calculations", journal = j-IJQC, volume = "32", number = "S21", pages = "523--532", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320751", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pauncz:1987:SPO, author = "R. Pauncz and B. Kirtman and W. E. Palke", title = "Studies in the paired orbital method. {I}", journal = j-IJQC, volume = "32", number = "S21", pages = "533--538", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320752", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kilzer:1987:ESP, author = "Patricia A. Kilzer and Henry A. Kurtz", title = "Excited state properties utilizing effective core potentials", journal = j-IJQC, volume = "32", number = "S21", pages = "539--545", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320753", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Deak:1987:PSR, author = "Peter De{\'a}k and Lawrence C. Snyder", title = "A possible solution to the rotational invariance and silicon parameter problem in the {MNDO} approximation", journal = j-IJQC, volume = "32", number = "S21", pages = "547--554", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320754", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Natiello:1987:SCA, author = "Mario A. Natiello and Erkki J. Bra{\"a}ndas and Alejandro R. Engelmann", title = "Some comments on the alteration of the {Coulomb} bound states by a barrier perturbation", journal = j-IJQC, volume = "32", number = "S21", pages = "555--562", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320755", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cioslowski:1987:SCM, author = "J. Cioslowski", title = "A study of the connected moments expansions for the correlation energy via an exactly soluble problem", journal = j-IJQC, volume = "32", number = "S21", pages = "563--567", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320756", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yamabe:1987:EVC, author = "Tokio Yamabe and Yoshihiro Asai", title = "Effect of vibronic coupling on the long range intermolecular interaction", journal = j-IJQC, volume = "32", number = "S21", pages = "569--572", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320757", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Landman:1987:ELC, author = "Uzi Landman and R. N. Barnett and C. L. Cleveland and Dafna Scharf and Joshua Jortner", title = "Electron localization in clusters", journal = j-IJQC, volume = "32", number = "S21", pages = "573--587", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320758", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kovacevic:1987:HSA, author = "K. Kova{\v{c}}evi{\'c} and A. Graovac and D. Babi{\'c}", title = "On the hybridization in some {Archimedean} carbon clusters", journal = j-IJQC, volume = "32", number = "S21", pages = "589--593", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320759", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Muller-Plathe:1987:PBM, author = "Florian M{\"u}ller-Plathe and Geerd H. F. Diercksen", title = "Properties of the {BCl} molecule studied by fourth-order many-body perturbation theory", journal = j-IJQC, volume = "32", number = "S21", pages = "595--602", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320760", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brown:1987:ISH, author = "Richard E. Brown and G. David Mendenhall and Rodney J. Bartlett", title = "Ab initio studies of hyponitrous acid", journal = j-IJQC, volume = "32", number = "S21", pages = "603--612", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320761", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jaworski:1987:SCD, author = "Andrzej Jaworski and Willis B. Person and Ludwik Adamowicz and Rodney J. Bartlett", title = "Study of the conformation of the dilithioacetylene molecule", journal = j-IJQC, volume = "32", number = "S21", pages = "613--621", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320762", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaufman:1987:IMCb, author = "Joyce J. Kaufman and P. C. Hariharan and Phillip B. Keegstra", title = "Ab initio {MRD--CI} calculations for the propagation step of cationic polymerization of oxetanes based on localized orbitals", journal = j-IJQC, volume = "32", number = "S21", pages = "623--643", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320763", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sokalski:1987:CIM, author = "W. A. Sokalski and P. C. Hariharan and Joyce J. Kaufman", title = "Comparison of ab initio {MODPOT} interaction energy components against large basis set {MBPT(4)} calculations for nitromethane dimer", journal = j-IJQC, volume = "32", number = "S21", pages = "645--660", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320764", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saito:1987:IMS, author = "Minoru Saito and Hiroshi Kashiwagi", title = "Ab initio {MO} study of {Fe} out-of-plane displacement and {Fe}-ligand vibration in five-coordinate {Fe}-porphyrin", journal = j-IJQC, volume = "32", number = "S21", pages = "661--668", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320765", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fink:1987:BSR, author = "William H. Fink", title = "Basis sets and restricted {Hartree--Fock} instabilities in thiocarbonyls", journal = j-IJQC, volume = "32", number = "S21", pages = "669--676", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320766", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Largo-Cabrerizo:1987:HCI, author = "A. Largo-Cabrerizo and C. Urdaneta and G. C. Lie and E. Clementi", title = "The {Hylleraas--CI} integrals in molecular, calculations. {II}. {Three}-and four-electron integrals and tests for two-electron many-center integrals", journal = j-IJQC, volume = "32", number = "S21", pages = "677--692", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320767", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1987:MLF, author = "H. W. Jones and B. Bussery and C. A. Weatherford", title = "An ``{$E$} matrix'' for the {L{\"o}wdin} $\alpha$ function, expanded in a {Taylor} series: an analytic treatment of molecular charge density near the origin", journal = j-IJQC, volume = "32", number = "S21", pages = "693--698", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320768", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Masson:1987:SEC, author = "David R. Masson", title = "{Schr{\"o}dinger}'s equation and continued fractions", journal = j-IJQC, volume = "32", number = "S21", pages = "699--712", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320769", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matsen:1987:FUG, author = "F. A. Matsen", title = "The freeon unitary group procedure and the structure of matter", journal = j-IJQC, volume = "32", number = "S21", pages = "713--728", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320770", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Palma:1987:CFO, author = "A. Palma and L. Sandoval and J. Morales", title = "Closed formulas for one- and two-center harmonic oscillator integrals", journal = j-IJQC, volume = "32", number = "S21", pages = "729--735", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320771", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cvitas:1987:PSS, author = "T. Cvita{\v{s}} and I. Novak and L. Klasinc", title = "Photoelectron spectra of some compounds containing the trifluoromethyl group", journal = j-IJQC, volume = "32", number = "S21", pages = "737--742", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320772", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yuan:1987:TGS, author = "J. M. Yuan and Yan Gu", title = "Transition to global stochasticity in a driven {Morse} oscillator", journal = j-IJQC, volume = "32", number = "S21", pages = "743--748", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320773", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumicak:1987:AEL, author = "Juraj Kumi{\v{c}}{\'a}k and Erkki Br{\"a}ndas", title = "Approach to equilibrium and {Lyapunov} converters", journal = j-IJQC, volume = "32", number = "S21", pages = "749--750", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320774", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vrscay:1987:RSPb, author = "Edward R. Vrscay", title = "{Rayleigh--Schr{\"o}dinger} perturbation expansions for a hydrogen atom in a polynomial perturbation", journal = j-IJQC, volume = "32", number = "S21", pages = "751--751", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320775", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Contreras:1987:QCC, author = "Renato R. Contreras and Arie Aizman and Demian Morales and Maria E. Llanos", title = "Quantum chemical calculations on ion pairs. {II}. {Structure} of haloacetic acids in aqueous solution", journal = j-IJQC, volume = "32", number = "S21", pages = "753--754", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320776", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bessis:1987:EPM, author = "Daniel Bessis and Carlos R. Handy and T. Morley", title = "An exact projection method for the lowest eigenstate of singular multidimensional {Schr{\"o}dinger} equations", journal = j-IJQC, volume = "32", number = "S21", pages = "755--755", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320777", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cizek:1987:RIP, author = "Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Francine Vinette and Edward R. Vrscay", title = "Renormalized inner projection, symbolic computation, and {L{\"o}wdin} rational approximants in explicit form", journal = j-IJQC, volume = "32", number = "S21", pages = "757--758", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320778", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Canuto:1987:MBS, author = "Sylvio Canuto and Geerd H. F. Diercksen", title = "Many-body studies of the structure and spectra of {CO$_3$}", journal = j-IJQC, volume = "32", number = "S21", pages = "759--760", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320779", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mintmire:1987:PRL, author = "J. W. Mintmire", title = "Preliminary report on a local-density functional study of polysilane chains", journal = j-IJQC, volume = "32", number = "S21", pages = "761--762", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320780", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kwiatkowski:1987:ETS, author = "J{\'o}zef S. Kwiatkowski and Willis B. Person and Krystyna Szczepaniak and Marian Szcze{\'s}niak", title = "Experimental and theoretical studies of the stabilities and infrared spectra of the cytosine tautomers", journal = j-IJQC, volume = "32", number = "S21", pages = "763--764", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320781", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Person:1987:ETS, author = "Willis B. Person and Krystyna Szczepaniak and Marian Szczesniak and Jozef S. Kwiatkowski and Luis Hernandez", title = "Experimental and theoretical studies of tautomers of nucleic acid bases", journal = j-IJQC, volume = "32", number = "S21", pages = "765--766", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320782", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1987:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "32", number = "S21", pages = "fmi--fmi", day = "12", month = mar, year = "1987", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560320701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:48:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csaszar:1988:VFA, author = "P{\'a}l Cs{\'a}sz{\'a}r and L{\'a}szl{\'o} Hars{\'a}nyi and James E. Boggs", title = "Vibrational frequencies and assignments for some isotopomers of urcail using a scaled ab initio force field", journal = j-IJQC, volume = "33", number = "1", pages = "1--17", month = jan, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weatherford:1988:AMT, author = "Charles A. Weatherford", title = "An analytic method for three-center nuclear attraction integrals: a generalization of the {Gegenbauer} addition theorem", journal = j-IJQC, volume = "33", number = "1", pages = "19--26", month = jan, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Banerjee:1988:DSS, author = "Ajit Banerjee", title = "Discrete spatial symmetries: {Redundant} coordinates and search for stationary points in reduced spaces", journal = j-IJQC, volume = "33", number = "1", pages = "27--40", month = jan, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Parra-Mouchet:1988:SCR, author = "Julia Parra-Mouchet and Renato R. Contreras and Arie Aizman", title = "Self-consistent reaction field calculations on the proton transfer in ammonia-formic acid systems as a model for hydrogen bonding in amino acids in solution", journal = j-IJQC, volume = "33", number = "1", pages = "41--52", month = jan, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Casida:1988:UIB, author = "Mark E. Casida", title = "Use of invariants in bounding 2-fermion reduced density matrix eigenvalues", journal = j-IJQC, volume = "33", number = "1", pages = "53--60", month = jan, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bayard:1988:SPR, author = "F. Bayard and C. Decoret and J. Royer and Y. G. Smeyers and J. J. Randez", title = "Study of a possible reaction pathway in the polymorphic transformation of diacetamide", journal = j-IJQC, volume = "33", number = "1", pages = "61--68", month = jan, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "33", number = "1", pages = "fmi--fmii", month = jan, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:55 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sapse:1988:CPA, author = "A. M. Sapse and Duli C. Jain", title = "The complexes of phenyl acetylene with {HF}, {H$_2$O}, and {NH$_3$}: {An} ab initio study", journal = j-IJQC, volume = "33", number = "2", pages = "69--76", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gonzalez-Lafont:1988:API, author = "A. Gonz{\'a}lez-Lafont and J. M. Lluch and A. Oliva and J. Bertr{\'a}n", title = "Analytical potential from ab initio calculations for the {Fe$^+$--H$_2$O} and {Fe$^0$-H$_2$O} systems", journal = j-IJQC, volume = "33", number = "2", pages = "77--85", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boerrigter:1988:TDN, author = "P. M. Boerrigter and G. Te Velde and J. E. Baerends", title = "Three-dimensional numerical integration for electronic structure calculations", journal = j-IJQC, volume = "33", number = "2", pages = "87--113", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Issa:1988:ESE, author = "B. D. El-Issa and M. A. Makhyoun and B. A. Salsa'", title = "Excited state electron density differentials: a new technique for studying {HOMO} \slash {LUMO} excitations", journal = j-IJQC, volume = "33", number = "2", pages = "115--125", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Eisenstein:1988:SDD, author = "M. Eisenstein", title = "{SCF} {Deformation} densities and electrostatic potentials of purines and pyrimidines", journal = j-IJQC, volume = "33", number = "2", pages = "127--158", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boca:1988:IREa, author = "Roman Bo{\v{c}}a", title = "Inclusion of relativistic effects into {ZDO} methods. {II}. {Solavation} of metal complexes", journal = j-IJQC, volume = "33", number = "2", pages = "159--167", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "33", number = "2", pages = "169--169", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vekantchalam:1988:E, author = "C. M. Vekantchalam and D. W. Urry", title = "Erratum", journal = j-IJQC, volume = "33", number = "2", pages = "171--171", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "33", number = "2", pages = "fmi--fmii", month = feb, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Handler:1988:EHE, author = "George S. Handler", title = "The energy of the homogeneous electron gas to second order", journal = j-IJQC, volume = "33", number = "3", pages = "173--175", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Head:1988:SOP, author = "John D. Head and Brain Weiner and Michael C. Zerner", title = "A survey of optimization procedures for stable structures and transition states", journal = j-IJQC, volume = "33", number = "3", pages = "177--186", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stamato:1988:ISC, author = "Fulvia M. L. G. Stamato and O. Tapia", title = "Ab initio studies on the catalytic mechanism of ester hydroloysis by serine proteases", journal = j-IJQC, volume = "33", number = "3", pages = "187--194", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Issa:1988:CSB, author = "B. D. El-Issa and A. Katrib and R. Ghodsian and B. A. Salsa' and S. H. Addassi", title = "A comparative study of the bonding in different halides of iridium", journal = j-IJQC, volume = "33", number = "3", pages = "195--216", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Berggren:1988:QPS, author = "K.-F. Berggren", title = "Quantum phenomena in small semiconductor structures and devices", journal = j-IJQC, volume = "33", number = "3", pages = "217--245", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Golebiewski:1988:NCB, author = "A. Go{\l}{\k{e}}biewski and E. Broclawik and M. Witko", title = "New concepts in bonded functions theory {II}. {Canonical} set of high internal symmetry", journal = j-IJQC, volume = "33", number = "3", pages = "247--262", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Natiello:1988:BRB, author = "Mario A. Natiello", title = "Book Review: {{\booktitle{Intermediate physical chemistry: Stationary properties of chemical systems}}. By Joseph B. Dence and J. Diestler, John Wiley \& Sons, New York, 1987}", journal = j-IJQC, volume = "33", number = "3", pages = "263--263", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Dence:1987:IPC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "33", number = "3", pages = "fmi--fmii", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1988:CPW, author = "P. Csavinszky", title = "Comparison of the {Perdew--Wang} exchange with the {Dirac} exchange", journal = j-IJQC, volume = "33", number = "4", pages = "265--269", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sellers:1988:VED, author = "Harrell Sellers", title = "Variational energy derivatives and perturbation theory", journal = j-IJQC, volume = "33", number = "4", pages = "271--277", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Macias:1988:PSU, author = "A. Mac{\'\i}as and F. Mart{\'\i}n and A. Riera and M. Y{\'a}a{\~n}ez", title = "A practical solution to the ``unknown normalization'' problem", journal = j-IJQC, volume = "33", number = "4", pages = "279--300", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{March:1988:DDT, author = "N. H. March and J. Cizek", title = "Dimensionality dependence of total energy of closed shells in a bare {Coulomb} field for large atomic number", journal = j-IJQC, volume = "33", number = "4", pages = "301--304", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lewis:1988:MOC, author = "David F. V. Lewis", title = "Molecular orbital calculations on tumor-inhibitory nitrosoureas: {QSARs}", journal = j-IJQC, volume = "33", number = "4", pages = "305--321", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Largo-Cabrerizo:1988:CEL, author = "A. Largo-Cabrerizo and J. Largo-Cabrerizo", title = "Correlation effects at a local level and {CI} partitions: 2$^3$ {S State} of helium", journal = j-IJQC, volume = "33", number = "4", pages = "323--326", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krasnogolovets:1988:MBFa, author = "V. V. Krasnogolovets and N. A. Protsenko and P. M. Tomchuk and V. S. Guriev", title = "The mechanism of bacteriorhodopsin functioning. {I}. {The} light-induced proton throw-over by retinal", journal = j-IJQC, volume = "33", number = "4", pages = "327--347", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krasnogolovets:1988:MBFb, author = "V. V. Krasnogolovets and N. A. Protsenko and P. M. Tomchuk", title = "The mechanism of bacteriorhodopsin functioning. {II}. {Ejection} and injection of proton", journal = j-IJQC, volume = "33", number = "4", pages = "349--367", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Ab, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "33", number = "4", pages = "369--369", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Ac, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "33", number = "4", pages = "371--371", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "33", number = "4", pages = "fmi--fmii", month = apr, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cullen:1988:EPV, author = "John M. Cullen and Michael C. Zerner", title = "An examination of perturbation--variational theory and scaling at fifth order", journal = j-IJQC, volume = "33", number = "5", pages = "373--394", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lima:1988:CDM, author = "Eneida G. Lima and Sylvio Canuto", title = "A comparison of different many-body perturbation theory calculations of the ground state of {SiS}", journal = j-IJQC, volume = "33", number = "5", pages = "395--401", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hubac:1988:QCV, author = "Ivan Huba{\v{c}} and Michal Svr{\v{c}}ek", title = "The quasiparticle concept in vibrational--electronic problems in molecules. {I}. {Partitioning} of the vibrational--electronic {Hamiltonian}", journal = j-IJQC, volume = "33", number = "5", pages = "403--443", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Meyer:1988:CLI, author = "J. Meyer", title = "Construction of linearly independent relativistic symmetry orbitals for finite double-point groups including time reversal symmetry", journal = j-IJQC, volume = "33", number = "5", pages = "445--465", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{TenHoor:1988:HFG, author = "Marten J. {Ten Hoor}", title = "The {Hartree--Fock} ground state of atomic two-electron systems and the {Wilson--Silverstone} $1s$ orbital", journal = j-IJQC, volume = "33", number = "5", pages = "467--475", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Ad, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "33", number = "5", pages = "477--477", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Ae, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "33", number = "5", pages = "479--479", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "33", number = "5", pages = "fmi--fmii", month = may, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lim:1988:RDD, author = "Tiong-Koon Lim", title = "On the resolution of a double determinant", journal = j-IJQC, volume = "33", number = "6", pages = "483--489", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maranon:1988:PIF, author = "Julio Mara{\~n}{\'o}n", title = "Path integral formulation of {Roothaan}'s equations", journal = j-IJQC, volume = "33", number = "6", pages = "491--496", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cullen:1988:FOC, author = "J. M. Cullen", title = "Fifth-order constant denominator perturbation therory within a localized bond model: {Contributions} from single and double excitations", journal = j-IJQC, volume = "33", number = "6", pages = "497--527", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tian:1988:ECP, author = "Bogang Tian and Guozhen Wu", title = "{EHMO} {Calculations} for a pyridine molecule adsorbed on a {Ag} adatom: {Implications} for surface enhanced {Raman} spectroscopy", journal = j-IJQC, volume = "33", number = "6", pages = "529--542", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dmitriev:1988:APT, author = "Yuri Yu. Dmitriev and Olga V. Solnyshkina", title = "Adiabatic perturbation theory for the degenerate case. {III}. {Adiabatic} formalism by {Gell-Mann} and low with an arbitrary switching function", journal = j-IJQC, volume = "33", number = "6", pages = "543--553", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mohallem:1988:CGE, author = "Jos{\'e} R. Mohallem and Milan Trsic", title = "Considerations on {Gaussian} expanded generator coordinate wave functions", journal = j-IJQC, volume = "33", number = "6", pages = "555--561", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{TenHoor:1988:HTC, author = "Marten J. {Ten Hoor}", title = "{Hall} transformation of {$\exp(-r)$}: {Correction} of the results", journal = j-IJQC, volume = "33", number = "6", pages = "563--566", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Iwaki:1988:ICR, author = "Hiroaki Iwaki and Takeshi Noro and Kimio Ohno", title = "Ab-initio calculation of resonance states of {H$_2$O}", journal = j-IJQC, volume = "33", number = "6", pages = "567--576", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1988:BRB, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Molecular magnetism}}. By A. Hinchliffe and R. W. Mum, John Wiley \& Sons, Chichester, 1985}", journal = j-IJQC, volume = "33", number = "6", pages = "577--577", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Hinchliffe:1985:ME}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tapia:1988:BRB, author = "O. Tapia", title = "Book Review: {{\booktitle{Theoretical chemistry of biological systems}}. Edited by G. N{\'a}ray-Szab{\'o}, Elsevier, Amsterdam, 1986}", journal = j-IJQC, volume = "33", number = "6", pages = "579--579", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Naray-Szabo:1986:TCB}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:PA, author = "Anonymous", title = "Preliminary {Announcement}", journal = j-IJQC, volume = "33", number = "6", pages = "581--581", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Conrad:1988:E, author = "Michael Conrad", title = "Erratum", journal = j-IJQC, volume = "33", number = "6", pages = "583--584", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ritchie:1988:E, author = "R. H. Ritchie and J. R. Manson", title = "Erratum", journal = j-IJQC, volume = "33", number = "6", pages = "585--585", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "33", number = "6", pages = "fmi--fmii", month = jun, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560330601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:56 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Proinov:1988:CTA, author = "E. Proinov and N. Neshey and A. Andreev", title = "The concept of the topological atom within the {MO--LCAO} approach. {II}. {On} the nature of the nephelauxetic effect", journal = j-IJQC, volume = "34", number = "1", pages = "1--8", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jiang:1988:SPG, author = "X. Q. Jiang and B. Y. Jin and Z. H. Zeng and C. C. Sun and A. J. Coleman", title = "The sequential product of geminals and the ground states of some atoms", journal = j-IJQC, volume = "34", number = "1", pages = "9--14", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jin:1988:SPG, author = "B. Y. Jin and X. Q. Jiang and Z. H. Zeng and C. C. Sun and A. J. Coleman", title = "A sequential product of geminals and its applications", journal = j-IJQC, volume = "34", number = "1", pages = "15--23", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{McWeeny:1988:SFF, author = "Roy McWeeny", title = "A spin-free form of valence bond theory", journal = j-IJQC, volume = "34", number = "1", pages = "25--36", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tewari:1988:TSC, author = "Ravindra Tewari", title = "Theoretical studies on conformational preferences of model modified nucleic acid base {N$^6$}-({N}-alanylcarbonyl) adenine", journal = j-IJQC, volume = "34", number = "1", pages = "37--46", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ramirez:1988:COA, author = "Rafael Ram{\'\i}rez and Michael C. B{\"o}hm", title = "A {Crystal Orbital} approach for two- and three-dimensional solids on the basis of {CNDO \slash INDO Hamiltonians}. {Basis} equations", journal = j-IJQC, volume = "34", number = "1", pages = "47--71", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ramirez:1988:TDB, author = "Rafael Ram{\'\i}rez and Michael C. B{\"o}hm", title = "The two-dimensional band structure of {(polyphthalocyaninato)Ni(II)}", journal = j-IJQC, volume = "34", number = "1", pages = "73--84", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tostes:1988:RPF, author = "J. G. R. Tostes and C. A. Taft and M. N. Ramos and W. A. {Lester, Jr.}", title = "Role of polarization functions on the bridge hydrogen atom in {HCN$\cdot$HCN}", journal = j-IJQC, volume = "34", number = "1", pages = "85--86", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ratner:1988:BRB, author = "Mark Ratner", title = "Book Review: {{\booktitle{Solid state chemistry---techniques}}. By A. K. Cheetham and P. Day, Editors, Clarendon, Oxford, 1987}", journal = j-IJQC, volume = "34", number = "1", pages = "87--87", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Cheetham:1992:SSC}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1988:E, author = "Kazuhiro Ishida", title = "Erratum", journal = j-IJQC, volume = "34", number = "1", pages = "89--90", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "1", pages = "fmi--fmii", month = jul, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{LopezDeCompadre:1988:RHA, author = "Rosa L. {Lopez De Compadre} and Alan J. Shusterman and Corwin Hansch", title = "The role of hydrophobicity in the {Ames} test. {The} correlation of the mutagenicity of nitropolycyclic hydrocarbons with partition coefficients and molecular orbital indices", journal = j-IJQC, volume = "34", number = "2", pages = "91--101", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Koga:1988:LIW, author = "Toshikatsu Koga and Ajit J. Thakkar", title = "Linear integrability of wave functions", journal = j-IJQC, volume = "34", number = "2", pages = "103--106", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Purdela:1988:RPT, author = "D. Purdela", title = "A regular periodic table of the elements and its quantum mechanical requirement", journal = j-IJQC, volume = "34", number = "2", pages = "107--119", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rico:1988:SES, author = "J. Fern{\'a}ndez Rico and R. L{\'o}apez and G. Ram{\'\i}arez", title = "Simplified expansion of {Slater} orbitals about displaced centers", journal = j-IJQC, volume = "34", number = "2", pages = "121--131", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tewari:1988:CPM, author = "Ravindra Tewari", title = "Conformational preferences of modified nucleic acid bases {N$^6$-($\Delta^2$-isopentenyl)} adenine and 2-methylthio-{N$^6$-($\Delta^2$-isopentenyl)} adenine by the quantum chemical {PCILO} calculations", journal = j-IJQC, volume = "34", number = "2", pages = "133--142", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Besnainou:1988:NDM, author = "S. Besnainou", title = "Nonlinear dynamics of a model hydrogen bond", journal = j-IJQC, volume = "34", number = "2", pages = "143--160", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pernot:1988:RDV, author = "P. Pernot and O. Atabek and J. A. Beswick and B. Levy", title = "Reduced-diabatic vibrational close coupled treatment of molecular dissociation dynamics", journal = j-IJQC, volume = "34", number = "2", pages = "161--184", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maroulis:1988:CTD, author = "George Maroulis", title = "Control over theoretical descriptions of atoms and molecules. {An} information theoretic approach to the automatic classification and systematic improvement of approximate wave functions", journal = j-IJQC, volume = "34", number = "2", pages = "185--190", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Af, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "34", number = "2", pages = "191--192", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:SA, author = "Anonymous", title = "Second announcement", journal = j-IJQC, volume = "34", number = "2", pages = "193--193", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1988:SCD, author = "Kazuhiro Ishida", title = "Spin and charge densities from {Hiller--Sucher--Feinberg} identities. {Test} calculations for {He}, {B}, {C}, {N}, {O}, and {F} atoms and {H$_2$O}, {N$_2$}, and {CH$_3$} molecules", journal = j-IJQC, volume = "34", number = "2", pages = "195--197", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "2", pages = "fmi--fmii", month = aug, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jayasuriya:1988:CAO, author = "Keerthi Jayasuriya and Sury Iyer", title = "A computational analysis of ortho-lithiation in aromatic systems", journal = j-IJQC, volume = "34", number = "3", pages = "199--206", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Richard:1988:FED, author = "Ann M. Richard and James R. Rabinowitz", title = "Further evaluation and development of charge similarity indices for choosing molecular analogues", journal = j-IJQC, volume = "34", number = "3", pages = "207--216", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cioslowski:1988:GPA, author = "J. Cioslowski", title = "The generalized {Pad{\'e}} approximants and chemical graph theory", journal = j-IJQC, volume = "34", number = "3", pages = "217--224", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cioslowski:1988:ETE, author = "J. Cioslowski and D. Bessis", title = "Extrapolation of the total energy of polymers to the bulk limit using generalized {Pad{\'e}} approximants", journal = j-IJQC, volume = "34", number = "3", pages = "225--229", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baykara:1988:ECS, author = "N. A. Baykara and M. Demiralp", title = "Eigenlevel calculations for screened {Coulomb} potential systems via an integration-free algorithm: {Space} pruning technique", journal = j-IJQC, volume = "34", number = "3", pages = "231--245", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Holas:1988:IES, author = "A. Holas and H. Dzia{\l}ak and S. Olszewski", title = "Interaction energy in small {$N$}-particle systems and the permutation group", journal = j-IJQC, volume = "34", number = "3", pages = "247--266", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pacios:1988:CVP, author = "L. Fernandez Pacios and P. Gomez Calzada", title = "Core\slash valence partition and relativistic effects in effective potentials for transition metals", journal = j-IJQC, volume = "34", number = "3", pages = "267--277", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jankowski:1988:IEC, author = "K. Jankowski and P. Malinowski and A. Soko{\l}owski", title = "Intershell $nl4f$ electron correlation effects", journal = j-IJQC, volume = "34", number = "3", pages = "279--288", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Holleboom:1988:NEO, author = "L. J. Holleboom and J. G. Snijders and E. J. Baerends", title = "Natural energy orbitals and the one-particle {Green}'s function", journal = j-IJQC, volume = "34", number = "3", pages = "289--300", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hall:1988:CCS, author = "George G. Hall", title = "{C. A. Coulson} and the surface energy of metals: a further comment", journal = j-IJQC, volume = "34", number = "3", pages = "301--304", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Ag, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "34", number = "3", pages = "305--305", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kryachko:1988:MLS, author = "Eugene S. Kryachko and Ivan Zh. Petkov and Mario V. Stoitsov", title = "Method of local-scaling transformations and density functional theory in quantum chemistry. {III}. {The} energy density functional: {Spin}-restricted approach", journal = j-IJQC, volume = "34", number = "3", pages = "307--307", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "3", pages = "fmi--fmii", month = sep, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tachibana:1988:SWD, author = "Akitomo Tachibana", title = "Shape wave in density functional theory", journal = j-IJQC, volume = "34", number = "4", pages = "309--323", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zhou:1988:GTM, author = "Zhongxiang Zhou", title = "Graph theory of molecular orbitals beyond tight-binding approximation", journal = j-IJQC, volume = "34", number = "4", pages = "325--332", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zivkovic:1988:PHS, author = "T. P. {\v{Z}}ivkovi{\'c}", title = "Particle-hole symmetry and complementary quantum systems", journal = j-IJQC, volume = "34", number = "4", pages = "333--359", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tyutyulkov:1988:SPN, author = "N. N. Tyutyulkov and C. I. Ivanov and I. Schopov and O. E. Polansky and G. Olbrich", title = "Structure and properties of nonclassical polymers. {VII}. {Polymers} with heteroatoms", journal = j-IJQC, volume = "34", number = "4", pages = "361--373", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moscardo:1988:EMS, author = "Federico Moscard{\'o} and Ram{\'o}n Andarias and Emilio San-Fabi{\'a}n", title = "Estimation of minima in {$^1$A$_1$} states of the ozone molecule", journal = j-IJQC, volume = "34", number = "4", pages = "375--383", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boca:1988:IREb, author = "Roman Bo{\v{c}}a", title = "Inclusion of relativistic effects into {ZDO} methods. {III}. {A}. {Quasi}-relativistic {INDO/1} version", journal = j-IJQC, volume = "34", number = "4", pages = "385--399", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tellinghuisen:1988:NCC, author = "Joel Tellinghuisen", title = "Numerical comparison of the {Cooley} and {Kobeissi} methods for solving the one-dimensional {Schr{\"o}dinger} equation", journal = j-IJQC, volume = "34", number = "4", pages = "401--406", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "4", pages = "fmi--fmii", month = oct, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:57 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hashimoto:1988:CRP, author = "Katsufumi Hashimoto and Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Josef Paldus", title = "Convergence radii of the perturbation expansions for the ground-state energies of finite {Hubbard} models", journal = j-IJQC, volume = "34", number = "5", pages = "407--415", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cioslowski:1988:TEE, author = "J. Cioslowski", title = "Total $\pi$-electron energy in the ``variable $\beta$'' {H{\"u}ckel} method", journal = j-IJQC, volume = "34", number = "5", pages = "417--421", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lipinski:1988:MAV, author = "J{\'o}azef Lipi{\'n}ski", title = "Modified all-valence {INDO\slash spd} method for ground and excited state properties of isolated molecules and molecular complexes", journal = j-IJQC, volume = "34", number = "5", pages = "423--435", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roszak:1988:ECR, author = "S. Roszak and W. A. Sokalski", title = "Effects of contraction and reduction of basis set size on the {He$_2$} interaction energy components", journal = j-IJQC, volume = "34", number = "5", pages = "437--444", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dinesha:1988:ISS, author = "K. V. Dinesha and S. Rettrup and C. R. Sarma", title = "An indexing scheme for spin-free configurations of electrons", journal = j-IJQC, volume = "34", number = "5", pages = "445--455", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Holme:1988:AHE, author = "T. A. Holme and R. D. Levine", title = "An algebraic {Hamiltonian} for electronic and nuclear degrees of freedom based on the vector model", journal = j-IJQC, volume = "34", number = "5", pages = "457--470", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Volosov:1988:OAS, author = "Andrey Volosov", title = "Optical activity of small peptide chains with right-handed $\alpha$-helix structure", journal = j-IJQC, volume = "34", number = "5", pages = "471--481", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Froelich:1988:BRBa, author = "P. Froelich", title = "Book Review: {{\booktitle{Advances in chemical reaction dynamics}}. Edited by P. M. Rentzepis and Ch. Capellos, NATO ASI Series C, Vol. 184, Reidel, Dordrecht, 1986}", journal = j-IJQC, volume = "34", number = "5", pages = "483--483", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See erratum \cite{Rentzepis:1986:ACR}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Froelich:1988:BRBb, author = "P. Froelich", title = "Book Review: {{\booktitle{Structure and dynamics of molecular systems II}}. Edited by R. Daudel, J. P. Korb, J. P. Lemaistre, and J. Maruani, Reidel, Dordrecht, 1986}", journal = j-IJQC, volume = "34", number = "5", pages = "485--486", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Daudel:1985:SDM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aagren:1988:BRB, author = "Hans {\AA}gren", title = "Book Review: {{\booktitle{Relativistic theory of atoms and molecules. A Bibliography 1916--1985}}. By P. Pyykk{\"o}, Lecture Notes in Chemistry, Vol. 41, Edited by G. Berthier, et al., Springer-Verlag, Berlin, 1986}", journal = j-IJQC, volume = "34", number = "5", pages = "487--487", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Pyykko:1986:RTA,Pyykko:1993:RTA,Pyykko:2000:RTA}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "5", pages = "fmi--fmiii", month = nov, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Toyoda:1988:SCG, author = "Kaoru Toyoda", title = "Structure of consistent ground state: {Re---derivation} of {RPA} vacuum and inclusion of higher {RPA} effects", journal = j-IJQC, volume = "34", number = "6", pages = "489--503", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fraga:1988:MEW, author = "Serafin Fraga", title = "A measure of the error in wave functions", journal = j-IJQC, volume = "34", number = "6", pages = "505--507", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bartolotti:1988:TFT, author = "Libero J. Bartolotti and Robert G. Parr and Yoram Tal", title = "{Thomas--Fermi} theory from a perturbative treatment of the hydrogenic limit energy density functional: a possible link to local density functional theory", journal = j-IJQC, volume = "34", number = "6", pages = "509--515", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Arteca:1988:MCM, author = "Gustavo A. Arteca and Paul G. Mezey", title = "Molecular conformations and molecular shape: a discrete characterization of continua of {van der Waals} surfaces", journal = j-IJQC, volume = "34", number = "6", pages = "517--526", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ni:1988:IPB, author = "Xiangshan Ni and Xiufan Shi and Lunjiang Ling", title = "An interaction potential between an alanine zwitterion and a water molecule based on ab initio calculations", journal = j-IJQC, volume = "34", number = "6", pages = "527--533", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Meissner:1988:CCM, author = "L. Meissner and K. Jankowski and J. Wasilewski", title = "A coupled-cluster method for quasidegenerate states", journal = j-IJQC, volume = "34", number = "6", pages = "535--557", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zuhrt:1988:TIH, author = "Christian Zuhrt and Danuta Jeziorek and Bronislav {\.Z}urawski", title = "Theoretical investigation of the {Na$^+$} + {H$_2$} system. {III}. {Trajectory} calculations of vibrationally inelastic collision processes", journal = j-IJQC, volume = "34", number = "6", pages = "559--569", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ramirez:1988:USR, author = "Rafael Ramirez and Michael C. B{\"o}hm", title = "The use of symmetry in reciprocal space integrations. {Asymmetric} units and weighting factors for numerical integration procedures in any crystal symmetry", journal = j-IJQC, volume = "34", number = "6", pages = "571--594", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "6", pages = "fmi--fmii", month = dec, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larsson:1988:LDE, author = "Sven Larsson and Anders Broo and Bruno K{\"a}llebring and Andrey Volosov", title = "Long distance electron transfer", journal = j-IJQC, volume = "34", number = "S15", pages = "1--22", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sneddon:1988:IGF, author = "S. F. Sneddon and C. L. {Brooks III}", title = "The influence of geometrical fluctuations on electron tunneling barriers in proteins", journal = j-IJQC, volume = "34", number = "S15", pages = "23--32", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Arteca:1988:SDC, author = "Gustavo A. Arteca and Paul G. Mezey", title = "Shape description of conformationally flexible molecules: {Application} to two-dimensional conformational problems", journal = j-IJQC, volume = "34", number = "S15", pages = "33--54", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Loew:1988:ECS, author = "Gilda Loew and Jack Collins and Philip Payne and Amrit K. Judd and Kevin H. Wacknow", title = "Energy-Conformational studies of $\beta$-endorphins: {Identification} of plausible folded conformers", journal = j-IJQC, volume = "34", number = "S15", pages = "55--66", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wilkinson:1988:EIC, author = "A. J. Wilkinson and C. M. Warwick and R. H. Davies", title = "Electrostatic interactions and conformation of some thromboxane antagonists", journal = j-IJQC, volume = "34", number = "S15", pages = "67--84", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Richards:1988:EMR, author = "Nigel G. J. Richards", title = "Electrostatics and molecular recognition", journal = j-IJQC, volume = "34", number = "S15", pages = "85--93", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rao:1988:CBR, author = "Gita Subba Rao and J. S. Bajaj", title = "Conformational basis of the receptor-binding potency of normal and mutant insulin molecules with relevance to the pathophysiology of noninsulin dependent diabetes mellitus {(NIDDM)}", journal = j-IJQC, volume = "34", number = "S15", pages = "95--101", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rashin:1988:CEH, author = "Alexander A. Rashin", title = "Continuum electrostatics and hydration phenomena", journal = j-IJQC, volume = "34", number = "S15", pages = "103--118", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DelBene:1988:IMO, author = "Janet E. {Del Bene}", title = "An ab initio molecular orbital study of hydrogen bonding and ion-molecule association in model systems for {DNA} bases", journal = j-IJQC, volume = "34", number = "S15", pages = "119--135", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scheiner:1988:EEI, author = "Steve Scheiner and T. Das", title = "Effects of external ions upon proton transfer reactions: {H}-bonded systems containing {HCOOH}", journal = j-IJQC, volume = "34", number = "S15", pages = "137--147", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boulanger:1988:IZM, author = "Thierry Boulanger and Daniel P. Vercauteren and Fran{\c{c}}ois Durant and Jean-Marie Andr{\'e}", title = "3- and 5-{Isoxazolol} zwitterions: {A} model of interaction with the {GABA-A} receptor relating to agonism and antagonism", journal = j-IJQC, volume = "34", number = "S15", pages = "149--165", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kothekar:1988:PMR, author = "V. Kothekar and Mrigank and A. Kotwal and B. Chandrashekhar", title = "On the possible mode of regulation of {DNA} transcription by steroid hormones: {Glucocorticoids}", journal = j-IJQC, volume = "34", number = "S15", pages = "167--178", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hirata:1988:VBM, author = "Fumio Hirata and Paul Redfern and Ronald M. Levy", title = "Viewing the born model for ion hydration through a microscope", journal = j-IJQC, volume = "34", number = "S15", pages = "179--190", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paul:1988:TIA, author = "R. Paul and O. G. Fritz and R. Chatterjee", title = "Theoretical interpretation of the anomalous behavior of some macromolecules", journal = j-IJQC, volume = "34", number = "S15", pages = "191--199", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1988:CTD, author = "Milan Randi{\'c}", title = "On characterization of three-dimensional structures", journal = j-IJQC, volume = "34", number = "S15", pages = "201--208", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pincus:1988:CBP, author = "Matthew R. Pincus", title = "The chain build-up procedure in computing the structures of biologically active polypeptides and proteins", journal = j-IJQC, volume = "34", number = "S15", pages = "209--220", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brooks:1988:TCB, author = "Charles L. {Brooks III}", title = "Thermodynamic calculations on biological molecules", journal = j-IJQC, volume = "34", number = "S15", pages = "221--234", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Urry:1988:FEC, author = "Dan W. Urry", title = "Free energy (chemomechanical) transduction in elastomeric polypeptides by chemical potential modulation of an inverse temperature transition", journal = j-IJQC, volume = "34", number = "S15", pages = "235--245", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chun:1988:APB, author = "Paul W. Chun", title = "Approximation of the {Planck--Benzinger} thermal work function in protein refolding in ribonuclease systems", journal = j-IJQC, volume = "34", number = "S15", pages = "247--258", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klasinc:1988:PSB, author = "L. Klasinc and I. Novak and A. Sablji{\'c} and S. P. McGlynn", title = "Photoelectron spectroscopy of biologically active molecules. {XVI}. {Benzophenone} derivatives", journal = j-IJQC, volume = "34", number = "S15", pages = "259--266", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1988:RSG, author = "Milan Randi{\'c} and Aleksandar Sablji{\'c} and Sonja Nikoli{\'c} and Nenad Trinajsti{\'c}", title = "A rational selection of graph-theoretical indices in the {QSAR}", journal = j-IJQC, volume = "34", number = "S15", pages = "267--285", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Conrad:1988:QMM, author = "Michael Conrad", title = "Quantum mechanics and molecular computing: {Mutual} implications", journal = j-IJQC, volume = "34", number = "S15", pages = "287--301", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1988:Ia, author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "34", number = "S15", pages = "v--v", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:LPa, author = "Anonymous", title = "List of Participants", journal = j-IJQC, volume = "34", number = "S15", pages = "vii--xxvii", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "S15", pages = "fmi--fmi", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 18:57:02 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Syposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pipek:1988:DMS, author = "J{\'a}nos Pipek and Paul G. Mezey", title = "Dependence of {MO} shapes on a continuous measure of delocalization", journal = j-IJQC, volume = "34", number = "S22", pages = "1--13", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{FerreiraDaSilva:1988:ISD, author = "A. {Ferreira Da Silva}", title = "On the impurity states in doped semiconductors via the alternant molecular orbital method", journal = j-IJQC, volume = "34", number = "S22", pages = "15--20", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guimaraes:1988:IDO, author = "P. S. Guimar{\~a}es and A. {Ferreira Da Silva}", title = "Interacting donors in the optical absorption of semiconductors", journal = j-IJQC, volume = "34", number = "S22", pages = "21--24", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Csavinszky:1988:ENG, author = "P. Csavinszky and A. M. Elabsy", title = "Effect of the nonparabolicity of the {GaAs} conduction band on the binding energy of off-center hydrogenic donors in a {Ga$_{1 - x}$Al$_x$As\slash GaAs\slash Ga$_{1 - x}$Al$_x$As} quantum well", journal = j-IJQC, volume = "34", number = "S22", pages = "25--31", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Szpunar:1988:IMH, author = "Barbara Szpunar and Vedene H. {Smith, Jr.}", title = "Itinerant magnetism in high {T$_c$} superconductors: {YBa$_2$Cu$_3$} oxides and related structures", journal = j-IJQC, volume = "34", number = "S22", pages = "33--42", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morrison:1988:DDM, author = "Robert C. Morrison", title = "Density and density matrix from optimized linearly independent product basis functions for {Be}", journal = j-IJQC, volume = "34", number = "S22", pages = "43--49", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Burke:1988:NDP, author = "Luke A. Burke and Karsten Krogh-Jespersen", title = "The nonplanarity of $n$-doped polyenes and of carbanions with alkali metal counterions", journal = j-IJQC, volume = "34", number = "S22", pages = "51--57", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Savin:1988:CDF, author = "A. Savin", title = "A combined density functional and configuration interaction method", journal = j-IJQC, volume = "34", number = "S22", pages = "59--69", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gazquez:1988:NAS, author = "Jos{\'e} L. G{\'a}zquez and Alberto Vela", title = "A new approach to second order corrections based on density functional theory", journal = j-IJQC, volume = "34", number = "S22", pages = "71--76", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1988:GOU, author = "R. S. Jones and J. W. Mintmire and B. I. Dunlap", title = "Geometry optimization using local-density functional methods: {Numerical} aspects", journal = j-IJQC, volume = "34", number = "S22", pages = "77--84", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dixon:1988:SSE, author = "David A. Dixon and Anthony J. {Arduengo III}", title = "Solvent stabilization of the edge inversion transition state in tetrahedral molecules", journal = j-IJQC, volume = "34", number = "S22", pages = "85--98", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Walnut:1988:PEC, author = "Thomas H. Walnut", title = "Properties of electronic current induced by nuclear motion: {Interaction} with radiation", journal = j-IJQC, volume = "34", number = "S22", pages = "99--116", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leszczynski:1988:TIM, author = "Jerzy Leszczynski and Floyd Wiseman and Michael C. Zerner", title = "Toward an ionic mechanism of soot particle formation: {Reactions} between acetylene and tautomeric forms of the {C$_3$H$_3^+$} ions", journal = j-IJQC, volume = "34", number = "S22", pages = "117--125", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Randic:1988:CAM, author = "Milan Randi{\'c} and Larhee L. Henderson and Roland Stout and Nenad Trinajsti{\'c}", title = "Conjugation and aromaticity of macrocyclic systems", journal = j-IJQC, volume = "34", number = "S22", pages = "127--141", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sinanoglu:1988:TER, author = "Oktay Sinano{\u{g}}lu", title = "Topological electronic rules for polycyclic hydrocarbons --- quantum chemical deductions directly from structural formulas", journal = j-IJQC, volume = "34", number = "S22", pages = "143--147", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shepard:1988:PRS, author = "Ron Shepard and Isaiah Shavitt and Russell M. Pitzer and Donald C. Comeau and Melanie Pepper and Hans Lischka and Peter G. Szalay and Reinhart Ahlrichs and Franklin B. Brown and Jian-Guo Zhao", title = "A progress report on the status of the {COLUMBUS MRCI} program system", journal = j-IJQC, volume = "34", number = "S22", pages = "149--165", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chang:1988:VSH, author = "Man Chai Chang", title = "Vibrational studies of {HCN} and {DCN} in matrix", journal = j-IJQC, volume = "34", number = "S22", pages = "167--171", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fan:1988:CHF, author = "Liangyou Fan and Louis Versluis and Tom Ziegler and Evert Jan Baerends and Walter Ravenek", title = "Calculation of harmonic frequencies and harmonic force fields by the {Hartree--Fock--Slater} method", journal = j-IJQC, volume = "34", number = "S22", pages = "173--181", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jasien:1988:GPP, author = "Paul G. Jasien and Ron Shepard", title = "A general polyatomic potential energy surface fitting method", journal = j-IJQC, volume = "34", number = "S22", pages = "183--198", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lima:1988:CCE, author = "Eneida G. Lima and Sylvio Canuto", title = "Correlated calculations of the electron affinity of {HC$_2$}", journal = j-IJQC, volume = "34", number = "S22", pages = "199--205", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ferris:1988:ESP, author = "Kim F. Ferris and Paul Friedman and Donald M. Friedrich", title = "Electronic structure of the phosphonitrilic trimer --- role of $d$ orbitals in chemical bonding", journal = j-IJQC, volume = "34", number = "S22", pages = "207--218", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Woodward:1988:ESZ, author = "C. Woodward and R. Benedek and B. I. Min", title = "Electronic structure of {Zintl} phase compounds by nonlinear optimization", journal = j-IJQC, volume = "34", number = "S22", pages = "219--223", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pluta:1988:NHF, author = "Tadeusz Pluta and Rodney J. Bartlett and Ludwik Adamowicz", title = "Numerical {Hartree--Fock} characterization of metastable states of the {He} anion", journal = j-IJQC, volume = "34", number = "S22", pages = "225--230", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shillady:1988:TSG, author = "D. D. Shillady and P. Jena and B. K. Rao and M. R. Press", title = "Theoretical study of the geometry of {Mn$_5$}", journal = j-IJQC, volume = "34", number = "S22", pages = "231--236", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Martin:1988:IES, author = "Richard L. Martin and Paul W. Saxe", title = "Ab initio electronic structure theory for a cluster model of {La$_{2 - x}$Sr$_x$CuO$_4$}", journal = j-IJQC, volume = "34", number = "S22", pages = "237--244", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Westbrook:1988:IAE, author = "John D. Westbrook and Karsten Krogh-Jespersen", title = "Ab initio all-electron and effective core potential calculations on {CuCl}", journal = j-IJQC, volume = "34", number = "S22", pages = "245--255", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dunlap:1988:DNC, author = "Brett I. Dunlap", title = "Do the new cluster sources also produce isomers?", journal = j-IJQC, volume = "34", number = "S22", pages = "257--264", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seel:1988:ACC, author = "Max Seel", title = "Atomic clusters and cluster models in solid state physics", journal = j-IJQC, volume = "34", number = "S22", pages = "265--274", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rosch:1988:TCC, author = "N. R{\"o}sch and P. Sandl and A. G{\"o}rling and P. Knappe", title = "Toward a chemisorption cluster model using the {LCGTO--X$_\alpha$} method: {Application} to {Ni(100)\slash Na}", journal = j-IJQC, volume = "34", number = "S22", pages = "275--285", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rao:1988:ELA, author = "B. K. Rao and P. Jena", title = "Electron localization in anionic and cationic clusters", journal = j-IJQC, volume = "34", number = "S22", pages = "287--296", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Broer:1988:TLS, author = "R. Broer and G. Aissing and W. C. Nieuwpoort", title = "Titanium in large silicon clusters", journal = j-IJQC, volume = "34", number = "S22", pages = "297--308", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lauher:1988:WWS, author = "Joseph W. Lauher", title = "What is wrong with a square metal cluster?", journal = j-IJQC, volume = "34", number = "S22", pages = "309--317", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balasubramanian:1988:SCP, author = "K. Balasubramanian and Xiaoyu Liu", title = "Spectra and characteristic polynomials of polyhedral clusters", journal = j-IJQC, volume = "34", number = "S22", pages = "319--328", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vela:1988:OBC, author = "Alberto Vela and Marcelo Galv{\'a}n and Jos{\'e} Luis G{\'a}zquez", title = "On the oscillatory behavior of the chemical potential of neutral atoms", journal = j-IJQC, volume = "34", number = "S22", pages = "329--335", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1988:STI, author = "Per-Olov L{\"o}wdin", title = "On some thermodynamical inequalities", journal = j-IJQC, volume = "34", number = "S22", pages = "337--342", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guan-Zhi:1988:TKT, author = "Ju Guan-Zhi and Ma Wan-Yong and Deng Cong-Hao and Kurt Christoffel", title = "Theoretical kinetic and thermodynamic study on the disilene-silylsilylene isomerization", journal = j-IJQC, volume = "34", number = "S22", pages = "343--347", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nalewajski:1988:MHS, author = "Roman F. Nalewajski and Jacek Korchowiec and Zhongxiang Zhou", title = "Molecular hardness and softness parameters and their use in chemistry", journal = j-IJQC, volume = "34", number = "S22", pages = "349--366", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{El-Sayed:1988:MMS, author = "M. A. El-Sayed", title = "On the molecular mechanisms of solar energy storage during the photocycle of the other photosynthetic system in nature, bacteriorhodopsin", journal = j-IJQC, volume = "34", number = "S22", pages = "367--375", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pople:1988:CCE, author = "J. A. Pople and M. Head-Gordon and Krishnan Raghavachari", title = "Corrections to correlations energies beyond fourth order {M{\"o}ller--Plesset (MP4)} perturbation theory. {Contributions} of single, double, and triple substitutions", journal = j-IJQC, volume = "34", number = "S22", pages = "377--382", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kucharski:1988:MMB, author = "Stanislaw A. Kucharski and Rodney J. Bartlett", title = "Multireference many-body perturbation theory", journal = j-IJQC, volume = "34", number = "S22", pages = "383--405", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weiner:1988:LAS, author = "Brian Weiner", title = "The {Lie} algebraic structure of the set of one-particle fermion operators", journal = j-IJQC, volume = "34", number = "S22", pages = "407--424", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Baretty:1988:MBP, author = "Reinaldo Baretty and Carmelo Garcia", title = "Modified {Breit--Pauli} {Hamiltonian} suitable for variational calculations", journal = j-IJQC, volume = "34", number = "S22", pages = "425--430", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ortiz:1988:PFO, author = "J. V. Ortiz", title = "Partial fourth order electron propagator theory", journal = j-IJQC, volume = "34", number = "S22", pages = "431--436", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Avery:1988:IMP, author = "John Avery and Peter Sommer-Larsen", title = "Iteration of the many-particle {Schr{\"o}dinger} equation in momentum space", journal = j-IJQC, volume = "34", number = "S22", pages = "437--444", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rodriguez:1988:FNS, author = "Wilfredo Rodr{\'\i}guez and Yasuyuki Ishikawa", title = "Fully numerical solutions of the {Hartree--Fock} equation in momentum space: {A} numerical study of the {He} atom and {H} ion", journal = j-IJQC, volume = "34", number = "S22", pages = "445--456", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishikawa:1988:UGT, author = "Yasuyuki Ishikawa and Hideo Sekino", title = "On the use of {Gaussian}-type functions in {Dirac--Fock} basis set expansion calculations", journal = j-IJQC, volume = "34", number = "S22", pages = "457--463", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Balasubramanian:1988:RCC, author = "K. Balasubramanian", title = "Relativistic {CASSCF\slash CI} calculations: {Applications} to transition metal dihydrides", journal = j-IJQC, volume = "34", number = "S22", pages = "465--476", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Svendsen:1988:VMC, author = "E. Norby Svendsen", title = "A variational method for calculation of dynamic third-order susceptibilities", journal = j-IJQC, volume = "34", number = "S22", pages = "477--480", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Broeckhove:1988:GCA, author = "J. Broeckhove and L. Lathouwers and G. Vanderheyden", title = "Generator coordinate approximation to nuclear electronic coupling", journal = j-IJQC, volume = "34", number = "S22", pages = "481--490", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Geertsen:1988:ACC, author = "Jan Geertsen", title = "An approximate coupled cluster doubles polarization propagator approximation", journal = j-IJQC, volume = "34", number = "S22", pages = "491--495", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jones:1988:AEE, author = "H. W. Jones and B. Etemadi and C. A. Weatherford", title = "Analytical evaluation of the electrostatic potential for diatomic molecules", journal = j-IJQC, volume = "34", number = "S22", pages = "497--502", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Palma:1988:NTD, author = "A. Palma and L. Sandoval", title = "The nonabelian two-dimensional algebra and the {Franck--Condon} integral", journal = j-IJQC, volume = "34", number = "S22", pages = "503--505", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Donnelly:1988:DST, author = "Robert A. Donnelly and Jack W. {Rogers, Jr.}", title = "A discrete search technique for global optimization", journal = j-IJQC, volume = "34", number = "S22", pages = "507--513", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Larson:1988:SGA, author = "Everett G. Larson and Kenneth G. Richards and Darlene E. Tolman", title = "Some geometrical algorithms for generation of field lines of a vector field --- designed for high accuracy with calculations at only a few field points", journal = j-IJQC, volume = "34", number = "S22", pages = "515--535", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cizek:1988:SCQ, author = "J. {\v{C}}{\'\i}{\v{z}}ek and F. Vinette", title = "Symbolic computation in quantum mechanics. {Several} simple examples", journal = j-IJQC, volume = "34", number = "S22", pages = "537--548", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Edwards:1988:CSS, author = "W. Daniel Edwards", title = "Complex solutions to simple molecular orbital problems", journal = j-IJQC, volume = "34", number = "S22", pages = "549--556", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dewar:1988:UQM, author = "Michael J. S. Dewar", title = "Use of quantum mechanical models in studies of reaction mechanisms", journal = j-IJQC, volume = "34", number = "S22", pages = "557--566", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Radom:1988:SMD, author = "Leo Radom and Peter M. W. Gill and Ming Wah Wong", title = "Simple models for describing the fragmentation behavior of multiply charged cations", journal = j-IJQC, volume = "34", number = "S22", pages = "567--573", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kahn:1988:MCR, author = "S. D. Kahn and C. F. Pau and W. J. Hehre", title = "Models for chemical reactivity: {Mapping} of intermolecular potentials onto electron density surfaces", journal = j-IJQC, volume = "34", number = "S22", pages = "575--591", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Purvis:1988:PTT, author = "George D. {Purvis III} and James W. King", title = "Proton transfer and triol formation in the simulation of {GABA} solvation", journal = j-IJQC, volume = "34", number = "S22", pages = "593--600", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sharpe:1988:ETR, author = "Paul Sharpe and Charles S. Christ and John R. Eyler and David E. Richardson", title = "Electron-Transfer reactions of organometallic and coordination compounds in the absence of solvent: {Experimental} results and theoretical approaches", journal = j-IJQC, volume = "34", number = "S22", pages = "601--610", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moskowitz:1988:ASA, author = "Jules W. Moskowitz and K. E. Schmidt and S. R. Wilson and W. Cui", title = "The application of simulated annealing to problems of molecular mechanics", journal = j-IJQC, volume = "34", number = "S22", pages = "611--617", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roszak:1988:IMC, author = "Szczepan Roszak and Phillip B. Keegstra and P. C. Hariharan and Joyce J. Kaufman", title = "Ab-initio {MRD-CI} calculations for breaking a chemical bond in a molecule in a crystal or other solid environment {I}. {H$_3$C\bond{}NO$_2$} decomposition in nitromethane", journal = j-IJQC, volume = "34", number = "S22", pages = "619--653", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{March:1988:SCE, author = "N. H. March", title = "Spatial correlation of electrons in metals", journal = j-IJQC, volume = "34", number = "S22", pages = "655--664", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Andre:1988:CMP, author = "J. M. Andre and J. Delhalle and J. G. Fripiat and G. Hennico and L. Piela", title = "Calculations of molecular polarizabilities from electric-field-variant atomic orbitals: {An} analysis of the problem and its application to the hydrogen molecule and to the alkane series", journal = j-IJQC, volume = "34", number = "S22", pages = "665--678", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Janssen:1988:ICS, author = "G. J. M. Janssen and W. C. Nieuwpoort", title = "On the ab-initio calculation of $d$-$d$ spectra in transition metal compounds: {The} importance of relaxed charge transfer states", journal = j-IJQC, volume = "34", number = "S22", pages = "679--696", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thomson:1988:EPM, author = "Colin Thomson and Derek Higgins", title = "Electrostatic potential maps of flavone acetic acids: {A} new class of antitumor drugs", journal = j-IJQC, volume = "34", number = "S22", pages = "697--705", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mikkelsen:1988:SSE, author = "Kurt V. Mikkelsen and Mark A. Ratner", title = "Specific solvation effects on electron transfer", journal = j-IJQC, volume = "34", number = "S22", pages = "707--720", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340871", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rabinowitz:1988:DMC, author = "James R. Rabinowitz and Stephen B. Little", title = "Development of a model that contains both multipole moments and {Gaussians} for the calculation of molecular electrostatic potentials", journal = j-IJQC, volume = "34", number = "S22", pages = "721--733", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340872", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schluter:1988:ESS, author = "M. Schluter", title = "Electronic structure and superconductivity of high {T$_c$ Cu} oxides", journal = j-IJQC, volume = "34", number = "S22", pages = "735--736", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340873", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boettger:1988:TIS, author = "J. C. Boettger", title = "Theoretical investigation of a sodium overlayer on the (111) surface of aluminum", journal = j-IJQC, volume = "34", number = "S22", pages = "737--738", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340874", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wolfskill:1988:PIP, author = "Troy Wolfskill", title = "Preliminary investigations of puckering in cyclooctatetraene: {Effects} of spin multiplicity and oxidation state", journal = j-IJQC, volume = "34", number = "S22", pages = "739--740", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340875", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:E, author = "Anonymous", title = "Erratum", journal = j-IJQC, volume = "34", number = "S22", pages = "741--741", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340876", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1988:Ib, author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "34", number = "S22", pages = "ix--ix", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:LPb, author = "Anonymous", title = "List of Participants", journal = j-IJQC, volume = "34", number = "S22", pages = "xi--xxii", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1988:M, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "34", number = "S22", pages = "fmi--fmi", day = "12--19", month = mar, year = "1988", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560340801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 16:59:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Syposium on Quantum Chemistry, Solid-State Theory, and Computational Methods.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Miertus:1989:I, author = "Stanislav Miertu{\v{s}}", title = "Introduction", journal = j-IJQC, volume = "35", number = "1", pages = "1--1", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Clementi:1989:SSS, author = "E. Clementi and S. Chin and G. Corongiu and J. H. Detrich and M. Dupuis and D. Folsom and G. C. Lie and D. Logan and V. Sonnad", title = "Supercomputing and supercomputers for science and engineering in general and for chemistry and biosciences in particular", journal = j-IJQC, volume = "35", number = "1", pages = "3--89", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Poltev:1989:CIS, author = "V. I. Poltev and A. V. Teplukhin", title = "Conformational implications of some nucleotide sequences", journal = j-IJQC, volume = "35", number = "1", pages = "91--102", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Danilov:1989:HEB, author = "Victor I. Danilov and Anna V. Shestopalova", title = "Hydrophobic effect in biological associates: {A Monte Carlo} simulation of caffeine molecules stacking", journal = j-IJQC, volume = "35", number = "1", pages = "103--112", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Palma-Vittorelli:1989:MIA, author = "M. B. Palma-Vittorelli", title = "Molecular interactions in aqueous solutions: {The} role of random fluctuations of external parameters and of thermodynamic instabilities", journal = j-IJQC, volume = "35", number = "1", pages = "113--124", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Palma:1989:SSD, author = "M. U. Palma", title = "Solvent structure and dynamics: {How} relevant to molecular and quantum pharmacology?", journal = j-IJQC, volume = "35", number = "1", pages = "125--139", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tvaroska:1989:CAO, author = "Igor Tvaro{\v{s}}ka", title = "Conformational analysis of oligosaccharides in solution", journal = j-IJQC, volume = "35", number = "1", pages = "141--151", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Miertus:1989:QMS, author = "S. Miertu{\v{s}} and V. Frecer and M. M{\'a}jekov{\'a}", title = "{QSAR} and {Mechanistic} studies on the genotoxic compounds including environmental effects", journal = j-IJQC, volume = "35", number = "1", pages = "153--165", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zahradnik:1989:TAI, author = "Rudolf Zahradn{\'\i}k and Frank Achenbach", title = "Theoretical approaches to interactions between biomolecules: {Legends} and approximations to reality", journal = j-IJQC, volume = "35", number = "1", pages = "167--180", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Axe:1989:CAA, author = "Frank U. Axe and Ahmad Waleh and Lek Chantranupong and Gilda H. Loew", title = "A comparative analysis of the active site properties of the resting states of cytochrome $c$ peroxidase, metmyoglobin, and catalase", journal = j-IJQC, volume = "35", number = "1", pages = "181--191", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saran:1989:CBC, author = "Anil Saran", title = "Correlation between the conformation of nucleoside antibiotics and their biological activity", journal = j-IJQC, volume = "35", number = "1", pages = "193--203", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mehler:1989:IMA, author = "E. L. Mehler and J. Gerhards", title = "Interaction model for the antiinflammatory action of benzoic and salicylic acids and phenols", journal = j-IJQC, volume = "35", number = "1", pages = "205--214", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Naray-Szabo:1989:ECM, author = "G. N{\'a}ray-Szab{\'o} and P. Nagy", title = "Electrostatic complementarity in molecular aggregates. 9: {Protein}-ligand complexes", journal = j-IJQC, volume = "35", number = "1", pages = "215--221", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Alagona:1989:NIM, author = "G. Alagona and R. Cammi and C. Ghio and J. Tomasi", title = "Noncovalent interactions of medium strength. {A} revised interpretation and examples of its applications", journal = j-IJQC, volume = "35", number = "1", pages = "223--239", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dijkman:1989:TSE, author = "Johannes P. Dijkman and Roman Osman and Harel Weinstein", title = "A theoretical study of the effect of primary and secondary structure elements on the proton transfer in papain", journal = j-IJQC, volume = "35", number = "1", pages = "241--252", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "35", number = "1", pages = "253--253", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ab, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "35", number = "1", pages = "255--255", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "35", number = "1", pages = "fmi--fmii", month = jan, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1989:IBS, author = "Toshimasa Ishida and Koichi Ohno", title = "The influence of basis sets on wave function tails", journal = j-IJQC, volume = "35", number = "2", pages = "257--266", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Santamaria:1989:GSA, author = "R. Santamar{\'\i}a and M. Berrondo and O. Novaro and E. S. Kryachko", title = "Generalized statistical approach to the study of interatomic interactions", journal = j-IJQC, volume = "35", number = "2", pages = "267--275", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hong-Yi:1989:NOF, author = "Fan Hong-Yi and H. R. Zaidi", title = "Normally ordered {Franck--Condon} operator: a new approach for the calculation of {Frank--Condon} factors", journal = j-IJQC, volume = "35", number = "2", pages = "277--282", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saito:1989:CDP, author = "Nakaya Saito and George G. Hall", title = "The change in the dressed potential of a polyatomic molecule in intense photon fields: {Simple} rules based on the nuclear charge-mass ratio", journal = j-IJQC, volume = "35", number = "2", pages = "283--295", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wierzbicki:1989:NNA, author = "Andrzej Wierzbicki and Joel M. Bowman", title = "New numerical approaches to the solution of the {$N$}-well {Schr{\"o}dinger} equation", journal = j-IJQC, volume = "35", number = "2", pages = "297--303", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kertesz:1989:SES, author = "Miklos Kertesz and Yong S. Lee and James J. P. Stewart", title = "Structure and electronic structure of polyacene", journal = j-IJQC, volume = "35", number = "2", pages = "305--313", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pop:1989:TSS, author = "Emil Pop and Marcus E. Brewster and J. J. Kaminski and Nicholas Bodor", title = "Theoretical study of some heterocyclic amines with applications to the chemistry of 9-amino-1,2,3,4-tetrahydroacridine", journal = j-IJQC, volume = "35", number = "2", pages = "315--324", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fraga:1989:AEL, author = "S. Fraga and E. {San Fabian} and J. A. Sordo and M. Campillo and J. D. Climenhaga and M. Klobukowski", title = "Atomic energy levels from configuration interaction calculations with relativistic corrections", journal = j-IJQC, volume = "35", number = "2", pages = "325--330", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tillieu:1989:UAL, author = "Jacques Tillieu and Augustin {Van Groenendael}", title = "Usage de l'alg{\`e}bre de {Lie} {${\rm su}(n)$} dans l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$ etats. {VII}: {Sur} le ``probl{\`e}me inverse''. ({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in the study of quantum systems of $n$ states. {VII}. {On} the ``inverse problem'']", journal = j-IJQC, volume = "35", number = "2", pages = "331--337", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{ElKhatib:1989:EST, author = "N. {El Khatib} and H. Chermette and M. Maitrot", title = "Electronic structure, theoretical electronic properties of tetraphenyldithiapyranylidene {DIPS} $\varphi_4$ molecule, and evaluation of the charge transfer occurring with doping agents like {TCNQ}", journal = j-IJQC, volume = "35", number = "2", pages = "339--358", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ac, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "35", number = "2", pages = "359--359", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "35", number = "2", pages = "fmi--fmii", month = feb, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:58 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tachibana:1989:AME, author = "Akitomo Tachibana", title = "Application of the {Mermin} entropy principle to the ``apparatus'' density functional theory", journal = j-IJQC, volume = "35", number = "3", pages = "361--372", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klein:1989:EGS, author = "D. J. Klein and T. G. Schmalz", title = "Exact ground state for a {Herndon--Simpson} model via resonance--theoretic cluster expansion", journal = j-IJQC, volume = "35", number = "3", pages = "373--383", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Plant:1989:HBV, author = "J. S. Plant and H. H. Greenwood", title = "Hydrogen bonding in vitamin {B$_6$}", journal = j-IJQC, volume = "35", number = "3", pages = "385--393", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lunell:1989:CSS, author = "S. Lunell and Y. Nakamura", title = "Conformational studies on {L}-serine phosphate and hydrated {L}-serine phosphate using ab initio {SCF} calculations", journal = j-IJQC, volume = "35", number = "3", pages = "395--407", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sadlej:1989:TDW, author = "Andrzej J. Sadlej", title = "Time-dependence of wave functions and the calculation of transition intensities", journal = j-IJQC, volume = "35", number = "3", pages = "409--423", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Golelbiewski:1989:NCB, author = "A. Go{\l}{\k{e}}lbiewski and E. Broc{\l}awik and M. Witko", title = "New concepts in bonded functions theory. {III}. {Orthogonalization} problem", journal = j-IJQC, volume = "35", number = "3", pages = "425--432", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garcia-Sucre:1989:EMS, author = "M. Garc{\'\i}a-Sucre", title = "The energy of a molecule as a sum of terms related to its nuclei when the nuclear motion is quantum mechanically described*", journal = j-IJQC, volume = "35", number = "3", pages = "433--439", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Altmann:1989:POC, author = "S. L. Altmann", title = "Projection operators and {Clebsch--Gordan} coefficients for projective representations", journal = j-IJQC, volume = "35", number = "3", pages = "441--456", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ad, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "35", number = "3", pages = "457--457", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ae, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "35", number = "3", pages = "459--459", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "35", number = "3", pages = "fmi--fmii", month = mar, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Katriel:1989:PCO, author = "Jacob Katriel", title = "Products of class operators of the symmetric group", journal = j-IJQC, volume = "35", number = "4", pages = "461--470", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nevalainen:1989:DMA, author = "Vesa Nevalainen and Tapani A. Pakkanen and Marina Lindblad", title = "Density matrix approximation as a probe to the interaction range analysis of electronic structure", journal = j-IJQC, volume = "35", number = "4", pages = "471--481", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Das:1989:SSF, author = "Kalyan K. Das and D. Mukherjee and S. P. Bhattacharyya", title = "Spectroscopic and structural features of small thiocarbonyl molecules in low-lying excited states: {Further} applications of a variant of the orthogonal gradient method", journal = j-IJQC, volume = "35", number = "4", pages = "483--494", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Biskupic:1989:MBD, author = "Stanislav Biskupi{\v{c}} and Vladim{\'\i}r Kvasni{\v{c}}ka", title = "A many-body diagrammatic theory of rotation--vibration spectra", journal = j-IJQC, volume = "35", number = "4", pages = "495--512", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Deal:1989:LEI, author = "Walter J. Deal", title = "Local energy as an indicator of the accuracy of wave functions and probability densities for helium", journal = j-IJQC, volume = "35", number = "4", pages = "513--518", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cullen:1989:FOC, author = "J. M. Cullen", title = "Fifth-order constant denominator perturbation theory within a localized bond model: {Contributions} from triple and quadruple excitations", journal = j-IJQC, volume = "35", number = "4", pages = "519--549", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lim:1989:EFH, author = "Tiong-Koon Lim", title = "Explicit formulas for the {Hamiltonian} matrix elements", journal = j-IJQC, volume = "35", number = "4", pages = "551--566", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zerner:1989:CAH, author = "Michael C. Zerner", title = "A configuration-averaged {Hartree--Fock} procedure", journal = j-IJQC, volume = "35", number = "4", pages = "567--575", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chermette:1989:ESD, author = "Henry Chermette and Dennis R. Salahub", title = "Eigenvalue search by diagonalization in the scattered wave method", journal = j-IJQC, volume = "35", number = "4", pages = "577--580", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1989:BRB, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Ab Initio Methods in Quantum Chemistry, Part I and Part II}}. Wiley-Interscience, New York, Advances in Chemical Physics, Vol. 67, 556 pp, and Vol. 69, 588 pp, 1987. K. P. Lawley, Editor}", journal = j-IJQC, volume = "35", number = "4", pages = "581--581", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Lawley:1987:IMQ}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mouritsen:1989:BRB, author = "Ole G. Mouritsen", title = "Book Review: {{\booktitle{Introduction to Phase Transitions and Critical Phenomena}}. By H. Eugene Stanley, Oxford University Press, Oxford, 1987}", journal = j-IJQC, volume = "35", number = "4", pages = "583--584", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Stanley:1971:IPT,Stanley:1987:IPT}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "35", number = "4", pages = "fmi--fmii", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hong-Yi:1989:NUT, author = "Fan Hong-Yi", title = "New unitary transformation for the three coupled oscillators", journal = j-IJQC, volume = "35", number = "5", pages = "585--592", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Taijin:1989:SPG, author = "Zhou Taijin", title = "Simplification of point group projection operators and its application to symmetry adaptation of multishell electron configurations", journal = j-IJQC, volume = "35", number = "5", pages = "593--612", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Suzuki:1989:ARM, author = "Masato Suzuki and Akira Imamura", title = "Application of the recursion method to the study of the end effects on the bond length alternation in polyacetylene", journal = j-IJQC, volume = "35", number = "5", pages = "613--628", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Panin:1989:COE, author = "A. I. Panin", title = "Contraction operator over electronic {Fock} space. {II}. {Weak} representability problem", journal = j-IJQC, volume = "35", number = "5", pages = "629--647", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hunter:1989:EDP, author = "G. Hunter and N. H. March", title = "Explicit density--potential relation for 4-electron atoms in 2-orbital {S} states", journal = j-IJQC, volume = "35", number = "5", pages = "649--663", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duncan:1989:ADB, author = "Richard H. Duncan and G. S. Davies", title = "Alkylation of {DNA} bases by carcinogenic {N}-nitrosamine metabolites: a theoretical study", journal = j-IJQC, volume = "35", number = "5", pages = "665--677", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Iyakutti:1989:ESH, author = "K. Iyakutti and S. Sankar and M. Thiagarajan", title = "Electronic structure of helium-trapped vacancy in aluminum using multiple scattering {X$_\alpha$} method", journal = j-IJQC, volume = "35", number = "5", pages = "679--685", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ojha:1989:ADS, author = "P. C. Ojha", title = "Analysis of degeneracy in the spectrum of a class of molecular graphs", journal = j-IJQC, volume = "35", number = "5", pages = "687--700", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "35", number = "5", pages = "fmi--fmii", month = may, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:PPI, author = "Anonymous", title = "Portrait of {Professor Ivar Waller}", journal = j-IJQC, volume = "35", number = "6", pages = "701--701", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1989:PIW, author = "Per-Olov L{\"o}wdin and Osvaldo Goscinski and Jean-Louis-Calais and Erkki Br{\"a}ndas", title = "{Professor Ivar Waller} 90-years anniversary {June 11, 1988}", journal = j-IJQC, volume = "35", number = "6", pages = "703--703", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lundqvist:1989:IWY, author = "Stig Lundqvist", title = "{Ivar Waller} 90 years on {June 11, 1988}", journal = j-IJQC, volume = "35", number = "6", pages = "705--707", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:PIW, author = "Anonymous", title = "Publications by {Ivar Waller}", journal = j-IJQC, volume = "35", number = "6", pages = "709--710", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Frauenfelder:1989:DWF, author = "Hans Frauenfelder", title = "The {Debye--Waller} factor: {From} villain to hero in protein crystallography", journal = j-IJQC, volume = "35", number = "6", pages = "711--715", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pauncz:1989:WHD, author = "Ruben Pauncz", title = "The {Waller--Hartree} double determinant in quantum chemistry", journal = j-IJQC, volume = "35", number = "6", pages = "717--719", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carlsson:1989:CS, author = "Gudrun Alm Carlsson and Karl-Fredrik Berggren and Carl A. Carlsson and Georg Matscheko and Roland Ribberfors", title = "The {Compton} spectrometer", journal = j-IJQC, volume = "35", number = "6", pages = "721--734", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Calais:1989:OMS, author = "Jean-Louis Calais", title = "Orthogonalization in momentum space", journal = j-IJQC, volume = "35", number = "6", pages = "735--743", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Eriksson:1989:GSQ, author = "K.-E. Eriksson", title = "Guessing the state of a quantum system from a limited set of observations", journal = j-IJQC, volume = "35", number = "6", pages = "745--749", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Froman:1989:DPE, author = "Nanny Fr{\"o}man and Per Olof Fr{\"o}man", title = "Determination of the potential from experimental data on energies and widths of quasi-stationary levels", journal = j-IJQC, volume = "35", number = "6", pages = "751--760", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goscinski:1989:HA, author = "Osvaldo Goscinski and Joseph Delhalle", title = "Hyperpolarizability approximations", journal = j-IJQC, volume = "35", number = "6", pages = "761--767", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jarlskog:1989:PAM, author = "C. Jarlskog", title = "On particle--antiparticle mirror symmetry", journal = j-IJQC, volume = "35", number = "6", pages = "769--778", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karlsson:1989:RPU, author = "Erik B. Karlsson", title = "Recent progress in the understanding of light particle tunneling in metals", journal = j-IJQC, volume = "35", number = "6", pages = "779--791", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kohler:1989:MMH, author = "H. S. K{\"o}hler", title = "Microscopic model for heavy-ion nonrelativistic collisions", journal = j-IJQC, volume = "35", number = "6", pages = "793--799", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Linderberg:1989:AMC, author = "Jan Linderberg", title = "An algorithm for {$R$} matrix calculations for atom--diatom reactive scattering", journal = j-IJQC, volume = "35", number = "6", pages = "801--811", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lindh:1989:TSD, author = "Roland Lindh and Bj{\"o}rn O. Roos", title = "A theoretical study of the diffuseness of the {V ($^1$B$_{1u}$)} state of planar ethylene", journal = j-IJQC, volume = "35", number = "6", pages = "813--825", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lundqvist:1989:NNE, author = "S. Lundqvist", title = "Nonlocal and nonlinear electromagnetic effects at surfaces", journal = j-IJQC, volume = "35", number = "6", pages = "827--838", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1989:SRP, author = "Per-Olov L{\"o}wdin and Bengt Nagel", title = "Some remarks on the perturbation and variation--perturbation calculations of the free energy for quantum systems", journal = j-IJQC, volume = "35", number = "6", pages = "839--850", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sjogren:1989:SAM, author = "Lennart Sj{\"o}gren and Alf Sj{\"o}lander", title = "Some applications of the mode--mode coupling approach", journal = j-IJQC, volume = "35", number = "6", pages = "851--867", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tripathi:1989:SFE, author = "A. N. Tripathi and Vedene H. {Smith, Jr.} and Ajit J. Thakkar", title = "Scattering of fast electrons and {X}-rays from molecules: {CH$_4$} and {C$_2$H$_2$}", journal = j-IJQC, volume = "35", number = "6", pages = "869--885", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350621", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wilhelmsson:1989:SFE, author = "H. Wilhelmsson", title = "Self-formation and evolution of singletons", journal = j-IJQC, volume = "35", number = "6", pages = "887--893", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350622", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brauchler:1989:HBP, author = "M. Br{\"a}uchler and S. Lunell and I. Olovsson and W. Weyrich", title = "Hydrogen bonding in potassium hydrogen carbonate studied by {Compton} scattering on single crystals", journal = j-IJQC, volume = "35", number = "6", pages = "895--917", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350623", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "35", number = "6", pages = "fmi--fmii", month = jun, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560350601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:45:59 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:E, author = "Anonymous", title = "Editorial", journal = j-IJQC, volume = "36", number = "1", pages = "1--3", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zhao:1989:REA, author = "Cheng-Da Zhao and Bin Chen and Jing-An Huang", title = "Reaction ergodography for the additions of {HLi} and its dimer to acetylene", journal = j-IJQC, volume = "36", number = "1", pages = "5--14", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hui-Yun:1989:VMV, author = "Pan Hui-Yun and Zhao Zu Sen", title = "On the validity of the mass--velocity operator in quantum chemistry", journal = j-IJQC, volume = "36", number = "1", pages = "15--18", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shusterman:1989:CMD, author = "Alan J. Shusterman and A. Sherwood Johnson and Corwin Hansch", title = "Correlation of mutagenicity of {1,1-dimethyl-3-(X-phenyl)-triazenes} with molecular orbital energies and hydrophobicity", journal = j-IJQC, volume = "36", number = "1", pages = "19--33", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sarma:1989:SAA, author = "C. R. Sarma and J. Paldus and Y. {\"O}hrn", title = "Spin adaptation of antisymmetrized geminal product wave functions", journal = j-IJQC, volume = "36", number = "1", pages = "35--48", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hidalgo:1989:PVS, author = "A. Hidalgo and J. Z{\'u}{\~n}iga and A. Bastida and A. Requena", title = "Perturbative virtual {SCF CI} treatment for energy levels of coupled oscillator systems", journal = j-IJQC, volume = "36", number = "1", pages = "49--60", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fernandez:1989:REE, author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro and John F. Ogilvie", title = "On the {Ricatti} equation for eigenvalue problems", journal = j-IJQC, volume = "36", number = "1", pages = "61--65", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Smet:1989:TEH, author = "F. Smet and A. van Groenendael", title = "Sur la th{\'e}orie des {\'e}quations de {Hartree--Fock} d{\'e}pendent du temps. {V}. {{\'E}tude} d'un mod{\`e}le sph{\'e}rique {\`a} 2 {\'e}lectrons. {Calcul} du tenseur d'hyperpolarisabilite d'ordre 3 ({French}) [{On} the quantum theory of time-dependent {Hartree--Fock} equations. {V}. {Study} of a 2-electron spherical model]", journal = j-IJQC, volume = "36", number = "1", pages = "67--91", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", language = "French", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "1", pages = "fmi--fmii", month = jul, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1989:SPB, author = "Per-Olov L{\"o}wdin and Piotr Froelich and Manoj Mishra", title = "Some properties of the bivariational {Hartree--Fock} scheme for complex symmetric many-particle operators", journal = j-IJQC, volume = "36", number = "2", pages = "93--103", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shivaglal:1989:OSF, author = "M. C. Shivaglal and Surjit Singh", title = "{OH} stretching force constant in associated methanol species and the cooperativity effect", journal = j-IJQC, volume = "36", number = "2", pages = "105--118", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kirtman:1989:FCA, author = "Bernard Kirtman", title = "Finite chain approximation for linear and nonlinear polarizabilities of polydiacetylene and polybutatriene", journal = j-IJQC, volume = "36", number = "2", pages = "119--125", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Li:1989:ERG, author = "Xiangzhu Li and Josef Paldus", title = "Explicit representation of {Gel'fand--Tsetlin} states in {Clifford} algebra unitary group approach", journal = j-IJQC, volume = "36", number = "2", pages = "127--140", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Priyadarshy:1989:TEE, author = "Satyam Priyadarshy and Sambhu Nath Datta", title = "Transport of excitation energy in a three-dimensional doped molecular crystal", journal = j-IJQC, volume = "36", number = "2", pages = "141--155", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pick:1989:SST, author = "{\v{S}}t{\v{e}}p{\'a}n Pick and Mojm{\'\i}r Tom{\'a}{\v{s}}ek", title = "On surface states of transition metal carbides, nitrides, and oxides: (001), (011), and (111) surfaces", journal = j-IJQC, volume = "36", number = "2", pages = "157--167", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rerat:1989:EFV, author = "M. R{\'e}rat", title = "Electric field variant ket for the calculation of dynamic polarizabilities. {Application} to {H$_2$O} and {N$_2$}", journal = j-IJQC, volume = "36", number = "2", pages = "169--178", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Billing:1989:CPA, author = "G. D. Billing and J. T. Muckerman", title = "A classical path approach to reactive scattering", journal = j-IJQC, volume = "36", number = "2", pages = "179--186", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "2", pages = "fmi--fmii", month = aug, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jortner:1989:OPP, author = "Joshua Jortner", title = "Organizer's preface to the proceedings of the sixth international congress on quantum chemistry", journal = j-IJQC, volume = "36", number = "3", pages = "187--188", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:EP, author = "Anonymous", title = "Editor's preface", journal = j-IJQC, volume = "36", number = "3", pages = "189--190", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lowdin:1989:PSQ, author = "Per-Olov L{\"o}wdin", title = "On the present situation of quantum chemistry: {Chairman}'s introductory remarks at the 6th {ICQC}", journal = j-IJQC, volume = "36", number = "3", pages = "191--199", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Qianer:1989:ITM, author = "Zhang Qianer and Li Xiangzhu", title = "Improved treatment for matrix elements of spin-dependent operators", journal = j-IJQC, volume = "36", number = "3", pages = "201--211", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ishida:1989:CDU, author = "Kazuhiro Ishida", title = "Charge density by the use of the {Hiller--Sucher--Feinberg} identity. {Perturbative} corrections and configuration interaction effects", journal = j-IJQC, volume = "36", number = "3", pages = "213--223", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mayer:1989:IIS, author = "I. Mayer and P. R. Surj{\'a}n", title = "Improved intermolecular {SCF} theory and the {BSSE} problem", journal = j-IJQC, volume = "36", number = "3", pages = "225--240", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Largo-Cabrerizo:1989:TSP, author = "A. Largo-Cabrerizo and J. R. Flores", title = "A theoretical study of protonation of triatomic silicon--carbon compounds", journal = j-IJQC, volume = "36", number = "3", pages = "241--253", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karna:1989:HCC, author = "S. P. Karna and F. Grein and B. Engels and S. D. Peyerimhoff", title = "The hyperfine coupling constants of {$^{19}$F}: {An} ab initio {MRD-CI} basis set study", journal = j-IJQC, volume = "36", number = "3", pages = "255--263", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Karna:1989:IMC, author = "S. P. Karna and F. Grein", title = "Ab initio {MO} calculations of hyperfine coupling constants. {A} basis set study for {$^{19}$F}, {$^{35}$Cl}, {$^{19}$F}, and {$^{35}$Cl}", journal = j-IJQC, volume = "36", number = "3", pages = "265--275", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tamassy-Lentei:1989:PIS, author = "I. Tam{\'a}ssy-Lentei and {\'A}. Derecskei-Kov{\'a}cs", title = "Pseudopotential investigation of some alkali metal molecules", journal = j-IJQC, volume = "36", number = "3", pages = "277--285", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hobza:1989:EPI, author = "P. Hobza and Z. Havlas", title = "An empirical potential for interactions of large molecules: {Application} to binding of dipeptides to {DNA}", journal = j-IJQC, volume = "36", number = "3", pages = "287--298", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Liang:1989:TSC, author = "Jiin-Yun Liang and William N. Lipscomb", title = "Theoretical study of carbonic anhydrase-catalyzed hydration of {CO$_2$}: a brief review", journal = j-IJQC, volume = "36", number = "3", pages = "299--312", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sabio:1989:CCS, author = "Michael Sabio and Sid Topiol", title = "Computational chemical studies of chiral stationary-phase models: {The} nature of the {Pi} interaction in complexes of methyl {$N$}-(2-naphthyl) alaninate with {$N$}-(3,5-dinitrobenzoyl)leucine n-propylamide", journal = j-IJQC, volume = "36", number = "3", pages = "313--317", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Misiak:1989:PTS, author = "P. Misiak and H. Chojnacki", title = "Proton transfer and solitonic excitations in model one-dimensional hydrogen-bonded systems", journal = j-IJQC, volume = "36", number = "3", pages = "319--323", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Novoselsky:1989:SMC, author = "Akiva Novoselsky and Jacob Katriel and Michel Valli{\`e}gres and Jin-Quan Chen and Robert Gilmore", title = "Shell model calculations: {An} efficient new algorithm", journal = j-IJQC, volume = "36", number = "3", pages = "325--339", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fripiat:1989:PAS, author = "J. G. Fripiat and J. Delhalle and J. M. Andr{\'e} and J. L. Calais", title = "Potentials of an alternative scheme for ab initio polymer band structure calculations. {Illustration} on the chain of hydrogen atoms", journal = j-IJQC, volume = "36", number = "3", pages = "341--351", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roszak:1989:IMC, author = "Szczepan Roszak and Phillip B. Keegstra and Douglas W. O'neal and P. C. Hariharan and Joyce J. Kaufman", title = "Ab-Initio {MRD-CI} calculations for breaking a chemical bond in a molecule in a crystal or other solid environment. {II}. {H$_3$C---NO$_2$} decomposition of nitromethane in a nitromethane crystal with voids", journal = j-IJQC, volume = "36", number = "3", pages = "353--368", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Campos-Martinez:1989:QAS, author = "J. Campos-Martinez and G. Delgado-Barrio and P. Villarreal and S. Miret-Artes", title = "A quantal approximation to the study of the collisional resonances in the {NA--N$_2$} system", journal = j-IJQC, volume = "36", number = "3", pages = "369--377", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ding:1989:LAA, author = "Shiliang Ding and Xizhang Yi and Conghao Deng", title = "Lie algebraic approach to the scattering system {H$_e$} + {H$_2$}", journal = j-IJQC, volume = "36", number = "3", pages = "379--389", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360320", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Christov:1989:STR, author = "S. G. Christov", title = "The stochastic theory and its relations to the general reaction rate theory", journal = j-IJQC, volume = "36", number = "3", pages = "391--415", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360321", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Marconi:1989:QMC, author = "Giancarlo Marconi", title = "Quantum mechanical calculations on vibronic activity in the {MCD} spectra of carbonyl compounds", journal = j-IJQC, volume = "36", number = "3", pages = "417--425", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360322", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Af, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "36", number = "3", pages = "427--427", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360323", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "3", pages = "fmi--fmii", month = sep, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:00 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Piecuch:1989:OSA, author = "Piotr Piecuch and Josef Paldus", title = "Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. {Comparison} of different procedures for spin-adaptation", journal = j-IJQC, volume = "36", number = "4", pages = "429--453", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goycoolea:1989:SIC, author = "Candelaria Goycoolea and Mauricio Barrera and Fernando Zuloaga", title = "Self-interaction-corrected electronegativities and hardness for atoms", journal = j-IJQC, volume = "36", number = "4", pages = "455--472", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Volosov:1989:RDE, author = "Andrey Volosov", title = "Role of doubly excited states in calculations of optical activity", journal = j-IJQC, volume = "36", number = "4", pages = "473--486", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pipek:1989:LMM, author = "J{\'a}nos Pipek", title = "Localization measure and maximum delocalization in molecular systems", journal = j-IJQC, volume = "36", number = "4", pages = "487--501", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wasilewski:1989:GTC, author = "J. Wasilewski", title = "Graphical techniques in the configuration interaction approach based on pure {Slater} determinants", journal = j-IJQC, volume = "36", number = "4", pages = "503--524", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Piccitto:1989:EEI, author = "G. Piccitto and R. Pucci and N. H. March and A. Grassi", title = "Electron--Electron interaction energy in homonuclear diatomic molecules", journal = j-IJQC, volume = "36", number = "4", pages = "525--531", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Geertsen:1989:BRB, author = "Jan Geertsen", title = "Book Review: {{\booktitle{Quantum description of high-resolution NMR in liquids}}. By Maurice Goldman, Clarendon Press, Oxford, 1988}", journal = j-IJQC, volume = "36", number = "4", pages = "533--533", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "See \cite{Goldman:1988:QDH}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ag, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "36", number = "4", pages = "535--535", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ah, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "36", number = "4", pages = "537--537", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ai, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "36", number = "4", pages = "541--541", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Volosov:1989:E, author = "Andrey Volosov", title = "Erratum", journal = j-IJQC, volume = "36", number = "4", pages = "543--543", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "4", pages = "fmi--fmii", month = oct, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sinanoglu:1989:ORT, author = "Oktay Sinano{\u{g}}lu", title = "Are oxygen rings {(O$_n$)} and their negative ions {(O)} unstable?", journal = j-IJQC, volume = "36", number = "5", pages = "545--552", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Andrade:1989:SSD, author = "L. Andrade and M. S{\'a}nchez", title = "Surface states in deformed and perturbed diatomic crystals", journal = j-IJQC, volume = "36", number = "5", pages = "553--561", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{LaFemina:1989:UPA, author = "John P. LaFemina", title = "Ultraviolet photoelectron and absorption spectra of substituted phenols", journal = j-IJQC, volume = "36", number = "5", pages = "563--573", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Finkel:1989:FDG, author = "David L. Finkel", title = "Fractal displays of genomic {DNA}. {I}. {Eco RI} fractal lattice of buffalo rat", journal = j-IJQC, volume = "36", number = "5", pages = "575--586", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nakamura:1989:ISS, author = "Y. Nakamura and S. Lunell", title = "Ab initio {SCF} study of the interaction between {L}-serine phosphate and ammonia", journal = j-IJQC, volume = "36", number = "5", pages = "587--598", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Li:1989:BTU, author = "Xiangzhu Li and Qianer Zhang", title = "Bonded tableau unitary group approach to the many-electron correlation problem", journal = j-IJQC, volume = "36", number = "5", pages = "599--632", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garcia-Vela:1989:QAS, author = "A. Garc{\'\i}a-Vela and P. Villarreal and G. Delgado-Barrio", title = "Quantal approach to study the structure of triatomic {I$_2$\dottedbond{}X (X = He, Ne) VDW} clusters", journal = j-IJQC, volume = "36", number = "5", pages = "633--646", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", keywords = "VDW (van der Waals)", onlinedate = "19 Oct 2004", } @Article{Lefebvre:1989:ABQ, author = "R. Lefebvre and O. Atabek and M. Garcia-Sucre", title = "Application of box quantization to the determination of the dissociation rates of a system of two coupled {Morse} oscillators", journal = j-IJQC, volume = "36", number = "5", pages = "647--657", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hu:1989:SSB, author = "Chengzheng Hu and Hendrik J. Monkhorst", title = "Symmetric and symmetry-broken {Hartree--Fock} solutions of one-dimensional models", journal = j-IJQC, volume = "36", number = "5", pages = "659--667", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pauncz:1989:NDS, author = "Ruben Pauncz", title = "New derivation of the {Sasaki--Ohno} formula of the {Sanibel} coefficients", journal = j-IJQC, volume = "36", number = "5", pages = "669--670", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Aj, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "36", number = "5", pages = "671--672", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "5", pages = "fmi--fmii", month = nov, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oneal:1989:ACL, author = "Douglas W. O'neal and Jack Simons", title = "Application of {Cholesky}-like matrix decomposition methods to the evaluation of atomic orbital integrals and integral derivatives", journal = j-IJQC, volume = "36", number = "6", pages = "673--688", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Feng:1989:ECF, author = "Xuejun Feng and Jens Peder Dahl", title = "Electron correlation forms in the {LiH} molecule --- {Fermi} correlation", journal = j-IJQC, volume = "36", number = "6", pages = "689--704", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Meissner:1989:SEM, author = "L. Meissner and K. Jankowski", title = "Size-extensivity in multireference many-body perturbation theories: a direct comparison between single-reference and multireference perturbation theories in the nondegenerate case", journal = j-IJQC, volume = "36", number = "6", pages = "705--726", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boca:1989:IRE, author = "Roman Bo{\v{c}}a", title = "Inclusion of relativistic effects into {ZDO} methods. {V}. {Effect} of core and polarization functions in bonding of first-group elements", journal = j-IJQC, volume = "36", number = "6", pages = "727--739", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kozlowski:1989:ADE, author = "P. M. Kozlowski and N. H. March", title = "Approximate density--external potential relation and the {Pauli} potential for systems with {Coulombic} interaction", journal = j-IJQC, volume = "36", number = "6", pages = "741--748", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Berrondo:1989:EPM, author = "M. Berrondo and S. W. Eggleston and E. G. Larson", title = "The effect of penetration on the multipole and multistreak expansions of molecular electrostatic potentials", journal = j-IJQC, volume = "36", number = "6", pages = "749--764", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anmin:1989:VCV, author = "Tian Anmin and Liu Ruifeng and Sun Zemin and Zhou Xuefeng and Yan Guosen", title = "Variational calculations of vibrational and vibration-rotational properties of ozone", journal = j-IJQC, volume = "36", number = "6", pages = "765--771", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cundari:1989:ROC, author = "Thomas R. Cundari and Russell S. Drago", title = "{Ru}--oxo catalyzed epoxidations and the {Woodward--Hoffmann} rules", journal = j-IJQC, volume = "36", number = "6", pages = "773--790", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ak, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "36", number = "6", pages = "791--791", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anonymous:1989:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "6", pages = "fmi--fmii", month = dec, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 12:46:01 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pack:1989:MSD, author = "George R. Pack and Linda Wong and Gene Lamm", title = "Model systems for {DNA} and its environment: {Suitability} and accuracy in theoretical calculations", journal = j-IJQC, volume = "36", number = "S16", pages = "1--15", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gupta:1989:DBS, author = "Goutam Gupta and Kimiko Umemoto and Mukti H. Sarma and Ramaswamy H. Sarma", title = "{DNA} bending in solution: {NMR} studies on the structural roles of {A\slash T} tracts and the sequences at the junction", journal = j-IJQC, volume = "36", number = "S16", pages = "17--33", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Foley:1989:MMS, author = "C. K. Foley and L. G. Pedersen and T. A. Darden and M. W. Anderson", title = "Molecular mechanics studies of sequence-specific repair of {DNA} alkylated by {EMS} in the laci gene of {{\em Escherichia coli}}", journal = j-IJQC, volume = "36", number = "S16", pages = "35--44", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tang:1989:PRP, author = "J. Tang and J. R. Norris", title = "Phase refinement from a partially known structure using linear prediction filtering", journal = j-IJQC, volume = "36", number = "S16", pages = "45--55", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mcdonald:1989:MMC, author = "Joseph J. Mcdonald and Robert Rein", title = "Molecular modeling of calmodulin: {A} comparison with crystallographic data", journal = j-IJQC, volume = "36", number = "S16", pages = "57--72", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Richards:1989:RME, author = "Nigel G. J. Richards and Sarah L. Price", title = "The representation of molecular electrostatics using interactive graphics", journal = j-IJQC, volume = "36", number = "S16", pages = "73--85", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Naray-SzabO:1989:ECA, author = "G{\'a}bor N{\'a}ray-Szab{\'O}", title = "Electrostatics in computer-aided drug design", journal = j-IJQC, volume = "36", number = "S16", pages = "87--99", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yadav:1989:CBI, author = "Janardan Singh Yadav and Mark Hermsmeier and Tamara Gund", title = "Comparison between ab initio and semiempirical net atomic charges of some nicotinic acetylcholine receptor agonists", journal = j-IJQC, volume = "36", number = "S16", pages = "101--117", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sokalski:1989:LCA, author = "W. A. Sokalski and K. Maruszewski and P. C. Hariharan and Joyce J. Kaufman", title = "Library of cumulative atomic multipole moments: {II}. Neutral and charged amino acids", journal = j-IJQC, volume = "36", number = "S16", pages = "119--164", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{King:1989:WIC, author = "James W. King", title = "A {$Z$}-weighted information content index", journal = j-IJQC, volume = "36", number = "S16", pages = "165--170", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Broch:1989:QMS, author = "H. Broch and R. Viani and H. Grassi and D. Vasilescu", title = "Quantum molecular study of the {$Z$} access for the phosphodiester linkage in nucleic acids", journal = j-IJQC, volume = "36", number = "S16", pages = "171--184", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Broo:1989:CET, author = "Anders Broo and Sven Larsson", title = "Calculation of electron transfer rates in proteins", journal = j-IJQC, volume = "36", number = "S16", pages = "185--198", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Loew:1989:TIP, author = "Gilda H. Loew and Jack R. Collins and Frank U. Axe", title = "Theoretical investigation of a proposed {[HIS 175-ASP 235-TRP 191]} proton transfer system in cytochrome c peroxidase", journal = j-IJQC, volume = "36", number = "S16", pages = "199--209", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Scheiner:1989:PPT, author = "Steve Scheiner and Rongshun Wang and Lan Wang", title = "Perturbations of proton transfer potentials caused by polar molecules", journal = j-IJQC, volume = "36", number = "S16", pages = "211--217", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Thomson:1989:TSS, author = "Colin Thomson", title = "Theoretical studies of some problems in chemical carcinogenesis", journal = j-IJQC, volume = "36", number = "S16", pages = "219--234", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Luan:1989:SEE, author = "Chi-Hao Luan and John Jaggard and R. Dean Harris and Dan W. Urry", title = "On the source of entropic elastomeric force in polypeptides and proteins: {Backbone} configurational vs. side-chain solvational entropy", journal = j-IJQC, volume = "36", number = "S16", pages = "235--244", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Konschin:1989:MSC, author = "Henrik Konschin and Henrik Tylli and Jukka Gynther and Juha Rouvinen", title = "The molecular structure and conformational characteristics of some specific benzodiazepine receptor ligands: a molecular orbital study of {C3}-substituted betacarboline derivatives", journal = j-IJQC, volume = "36", number = "S16", pages = "245--259", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Villar:1989:MMB, author = "H. O. Villar and G. H. Loew", title = "Molecular modulators of benzodiazepine receptor ligand binding", journal = j-IJQC, volume = "36", number = "S16", pages = "261--271", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yliniemela:1989:HAB, author = "A. Yliniemel{\"a} and J. Gynther and H. Konschin and H. Tylli and J. Rouvinen", title = "High-affinity benzodiazepine receptor ligands among benzodiazepines and betacarbolines with different intrinsic activity", journal = j-IJQC, volume = "36", number = "S16", pages = "273--280", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pardo:1989:TSA, author = "Leonardo Pardo and Aleksander P. Mazurek and Roman Osman and Harel Weinstein", title = "Theoretical studies of the activation mechanism of histamine {H$_2$}-receptors: {Dimaprit} and the receptor model", journal = j-IJQC, volume = "36", number = "S16", pages = "281--290", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Pop:1989:TAC, author = "Emil Pop and Marcus E. Brewster and Nicholas Bodor and J. J. Kaminski", title = "Theoretical aspects of cephalosporin isomerism", journal = j-IJQC, volume = "36", number = "S16", pages = "291--300", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jacchieri:1989:CBT, author = "S. G. Jacchieri", title = "Cooperative binding of transition states in enzymatic catalysis", journal = j-IJQC, volume = "36", number = "S16", pages = "301--309", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Head-Gordon:1989:TSA, author = "Teresa Head-Gordon and Martin Head-Gordon and Michael J. Frisch and Charles {Brooks III} and John Pople", title = "A theoretical study of alanine dipeptide and analogs", journal = j-IJQC, volume = "36", number = "S16", pages = "311--322", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Carter:1989:NAQ, author = "Stuart Carter and Sonja Nikoli{\'c} and Nenad Trinajsti{\'c}", title = "A novel algorithm for {QSAR}", journal = j-IJQC, volume = "36", number = "S16", pages = "323--330", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Klasinc:1989:PSB, author = "L. Klasinc and S. P. Mcglynn and L. J. Pa{\v{s}}a-Toli{\'c} and B. Kova{\v{c}}", title = "Photoelectron spectroscopy of biologically active molecules. 17. Unsaturated steroids", journal = j-IJQC, volume = "36", number = "S16", pages = "331--341", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Berrondo:1989:LE, author = "M. Berrondo and E. G. Larson", title = "Letter to the editor", journal = j-IJQC, volume = "36", number = "S16", pages = "343--344", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ohrn:1989:Ia, author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "36", number = "S16", pages = "v--v", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1989:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "S16", pages = "ii--ii", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:31 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Padkjer:1989:EHC, author = "S{\o}ren Berg Padkj{\'e}r and Jan Linderberg", title = "Electronic {Hamiltonians} for collision theory", journal = j-IJQC, volume = "36", number = "S23", pages = "1--15", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kresin:1989:NHE, author = "Vladimir Z. Kresin and William A. {Lester, Jr.}", title = "Nonadiabatic {Hamiltonian} for electronic--vibrational coupling", journal = j-IJQC, volume = "36", number = "S23", pages = "17--26", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Recamier:1989:VET, author = "Jos{\'e} R{\'e}camier and Manuel Berrondo", title = "{VT} energy transfer in molecular collisions: {An} algebraic approach", journal = j-IJQC, volume = "36", number = "S23", pages = "27--29", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Deumens:1989:GHA, author = "E. Deumens and Y. {\"O}hrn", title = "General harmonic approximation for time-dependent molecular dynamics", journal = j-IJQC, volume = "36", number = "S23", pages = "31--43", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Yu:1989:GNV, author = "Chin-Hui Yu and Donald J. Kouri and Meishan Zhao and Donald G. Truhlar and David W. Schwenke", title = "Generalized {Newton} variational principle --- {${\cal L}^2$} amplitude density treatment of the 3-dimensional quantal reaction {F $+$ H$_2$} $\rightarrow$ {HF(v$_f$) $+$ H}: {Comparison} of reaction probabilities and state-to-state collisional delay times for zero and nonzero total angular momentum", journal = j-IJQC, volume = "36", number = "S23", pages = "45--58", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Schuch:1989:CBN, author = "D. Schuch", title = "Connections between {Newton}- and {Schr{\"o}dinger}-type equations in the description of reversible and irreversible dynamics", journal = j-IJQC, volume = "36", number = "S23", pages = "59--72", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Doll:1989:CMC, author = "J. D. Doll and Thomas L. Beck and David L. Freeman", title = "Classical {Monte Carlo} dynamics: {A} simulated annealing approach to the construction of double-ended classical trajectories", journal = j-IJQC, volume = "36", number = "S23", pages = "73--78", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Garcia-Sucre:1989:ENM, author = "M. Garc{\'\i}a-Sucre and V. Castells", title = "The effect of nuclear motion on {Berlin} surfaces of a diatomic fragment in a polyatomic molecule", journal = j-IJQC, volume = "36", number = "S23", pages = "79--88", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Wang:1989:ASR, author = "Zhengming Wang and Peter Winkler", title = "Analytic solution to the resonance problem of screened {Coulomb} potentials", journal = j-IJQC, volume = "36", number = "S23", pages = "89--94", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Weatherford:1989:SPA, author = "Charles A. Weatherford and Gregory Odom and Roy Tucker", title = "A study of pseudoresonances in the application of the {Schwinger} variational principle to electron scattering from atomic hydrogen", journal = j-IJQC, volume = "36", number = "S23", pages = "95--101", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kuruoglu:1989:CRH, author = "Zeki C. Kuruoglu and David A. Micha", title = "Calculation of resonances in the {H $+$ H$_2$} reaction using the {Faddeev--AGS} method", journal = j-IJQC, volume = "36", number = "S23", pages = "103--114", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sun:1989:DDR, author = "Qiyan Sun and Joel M. Bowman", title = "Diatom-diatom reactive scattering in hypercylindrical coordinates", journal = j-IJQC, volume = "36", number = "S23", pages = "115--126", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Neto:1989:HCS, author = "J. J. Soares Neto and S{\o}ren B. Padkj{\'e}r and Jan Linderberg", title = "Hyperspherical coordinates in the study of rovibrational levels of {H$^+_3$} and its isotopomers", journal = j-IJQC, volume = "36", number = "S23", pages = "127--136", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Koizumi:1989:TSR, author = "Hiroyasu Koizumi and George C. Schatz", title = "Transition state resonances in collinear {O($^3$P) $+$ HCl $\rightarrow$ OH $+$ Cl}", journal = j-IJQC, volume = "36", number = "S23", pages = "137--145", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brandas:1989:SAI, author = "E. J. Br{\"a}ndas and C. A. Chatzidimitriou-Dreismann", title = "Some aspects on ionic conductance and proton transfer reactions in aqueous solutions", journal = j-IJQC, volume = "36", number = "S23", pages = "147--151", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Chatzidimitriou-Dreismann:1989:PED, author = "C. A. Chatzidimitriou-Dreismann", title = "Proposed experiments for the detection of coherent--dissipative structures around {H$^+$} ions in aqueous solutions", journal = j-IJQC, volume = "36", number = "S23", pages = "153--158", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Avery:1989:NAQ, author = "John Avery and Frank Antonsen", title = "A new approach to the quantum mechanics of atoms and small molecules", journal = j-IJQC, volume = "36", number = "S23", pages = "159--168", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Alexander:1989:CNW, author = "S. A. Alexander and R. L. Coldwell", title = "Constructing a nuclear wavefunction with splines", journal = j-IJQC, volume = "36", number = "S23", pages = "169--181", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sandoval:1989:OAR, author = "L. Sandoval and A. Palma and F. Rivas-Silva", title = "Operator algebra and recurrence relations for the {Franck--Condon} factors", journal = j-IJQC, volume = "36", number = "S23", pages = "183--186", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bloor:1989:ICH, author = "John E. Bloor", title = "Ab initio calculation of harmonic vibrational frequencies and intensities of molecules containing atoms of the third period of the periodic table. {I}. hydrogen sulfide and sulfur dioxide", journal = j-IJQC, volume = "36", number = "S23", pages = "187--197", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lee:1989:DDQ, author = "Timothy J. Lee and Peter R. Taylor", title = "A diagnostic for determining the quality of single-reference electron correlation methods", journal = j-IJQC, volume = "36", number = "S23", pages = "199--207", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ishikawa:1989:NOC, author = "Yasuyuki Ishikawa and I. L. Aponte-Avellanet and S. A. Alexander", title = "Numerical orbital calculations using nonuniform grids", journal = j-IJQC, volume = "36", number = "S23", pages = "209--215", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Umrigar:1989:TAQ, author = "C. J. Umrigar", title = "Two aspects of quantum {Monte Carlo}: {Determination} of accurate wavefunctions and determination of potential energy surfaces of molecules", journal = j-IJQC, volume = "36", number = "S23", pages = "217--230", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Head:1989:GTE, author = "John D. Head and Susil J. Silva", title = "A guide to two-electron integral approximations through semiorthogonal basis sets", journal = j-IJQC, volume = "36", number = "S23", pages = "231--244", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Thakkar:1989:MEE, author = "Ajit J. Thakkar and Ward A. Pedersen", title = "{Maclaurin} expansions of the electron momentum densities of linear molecules", journal = j-IJQC, volume = "36", number = "S23", pages = "245--253", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cioslowski:1989:DDS, author = "J. Cioslowski", title = "Density driven self-consistent field method. {II}. Construction of all one-particle wavefunctions that are orthonormal and sum up to a given density", journal = j-IJQC, volume = "36", number = "S23", pages = "255--262", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ley-Koo:1989:UTT, author = "E. Ley-Koo and Carlos F. Bunge", title = "Use of truncated {Taylor} series for $r^{-1}_{12}$ in electronic structure calculations", journal = j-IJQC, volume = "36", number = "S23", pages = "263--268", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Gill:1989:EAG, author = "Peter M. W. Gill and Martin Head-Gordon and John A. Pople", title = "An efficient algorithm for the generation of two-electron repulsion integrals over {Gaussian} basis functions", journal = j-IJQC, volume = "36", number = "S23", pages = "269--280", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mayer:1989:BFS, author = "I. Mayer and P. R. Surj{\'a}n and {\'A}. Vib{\'O}k", title = "{BSSE}-free {SCF} methods for intermolecular interactions", journal = j-IJQC, volume = "36", number = "S23", pages = "281--290", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Head-Gordon:1989:QCS, author = "Martin Head-Gordon and John A. Pople and Michael J. Frisch", title = "Quadratically convergent simultaneous optimization of wavefunction and geometry", journal = j-IJQC, volume = "36", number = "S23", pages = "291--303", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Arteca:1989:TAC, author = "Gustavo A. Arteca and Paul G. Mezey", title = "Two approaches to the concept of chemical species: {Relations} between potential energy and molecular shape", journal = j-IJQC, volume = "36", number = "S23", pages = "305--320", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ortiz:1989:EPC, author = "J. V. Ortiz", title = "Electron propagator calculations with nondiagonal partial fourth-order self-energies and unrestricted {Hartree--Fock} reference states", journal = j-IJQC, volume = "36", number = "S23", pages = "321--332", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Brenner:1989:CMI, author = "Donald W. Brenner and C. T. White and Mark L. Elert and Franklin E. Walker", title = "Chemical model for intrinsic detonation velocities", journal = j-IJQC, volume = "36", number = "S23", pages = "333--337", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sekino:1989:RDP, author = "Hideo Sekino and Yasuyuki Ishikawa", title = "Relativistic diagrammatic perturbation theory calculations on neon atom", journal = j-IJQC, volume = "36", number = "S23", pages = "339--344", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Almlof:1989:DE, author = "Jan Alml{\"o}f and Bradley J. Deleeuw and Peter R. Taylor and Charles W. {Bauschlicher, Jr.} and Per Siegbahn", title = "The dissociation energy of {N$_2$}", journal = j-IJQC, volume = "36", number = "S23", pages = "345--354", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Campoy:1989:IBN, author = "G. Campoy and A. Palma and L. Sandoval", title = "The inversion barrier in {NH$_3$}", journal = j-IJQC, volume = "36", number = "S23", pages = "355--361", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Frisch:1989:ESE, author = "Michael J. Frisch and Janet E. {Del Bene}", title = "The electronic structure and electrostatics of nitrous oxide", journal = j-IJQC, volume = "36", number = "S23", pages = "363--369", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{DelBene:1989:ISS, author = "Janet E. {Del Bene} and Michael J. Frisch", title = "An ab initio study of the structures and stabilities of the complexes of the bases {N$_2$O}, {CO$_2$}, and {CO} with the acids {FH}, {H$^+$}, and {Li$^+$}", journal = j-IJQC, volume = "36", number = "S23", pages = "371--380", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bouman:1989:LRC, author = "Thomas D. Bouman and Aage E. Hansen", title = "Linear response calculations of molecular optical and magnetic properties using program {RPAC}: {NMR} shielding tensors of pyridine and n-azines", journal = j-IJQC, volume = "36", number = "S23", pages = "381--396", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ferris:1989:CBP, author = "Kim F. Ferris and C. B. Duke", title = "Chemical bonding in phosphonitrilic systems --- comparison of the electronic structures of {(F$_2$PN)$_3$}, {(F$_2$PN)$_4$}, and {OP(F$_2$)NP(F$_2$)NPF$_3$}", journal = j-IJQC, volume = "36", number = "S23", pages = "397--407", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Shim:1989:CGI, author = "I. Shim and K. A. Gingerich", title = "The chromium-group {IV} molecules {CrC}, {CrSi}, and {CrGe}: {An} all-electron ab initio {HF--CI} study", journal = j-IJQC, volume = "36", number = "S23", pages = "409--419", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Niesar:1989:PON, author = "U. Niesar and G. Corongiu and M.-J. Huang and M. Dupuis and E. Clementi", title = "Preliminary observations on a new water--water potential", journal = j-IJQC, volume = "36", number = "S23", pages = "421--443", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{DelBene:1989:CMD, author = "Janet E. {Del Bene} and Isaiah Shavitt", title = "Comparison of methods for determining the correlation contribution to hydrogen bond energies", journal = j-IJQC, volume = "36", number = "S23", pages = "445--452", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Osapay:1989:SBS, author = "K. {\"O}sapay and L. Hevesi and J. Delhalle", title = "A study of the basis set dependence of the geometry and proton affinity for a series of vinyl ethers and vinyl sulfides", journal = j-IJQC, volume = "36", number = "S23", pages = "453--463", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Jones:1989:MMO, author = "L. F. Jones and D. D. Shillady and A. Duong and L. B. Kier", title = "A multiconfigurational molecular orbital study of {N}-methyl oxatriazole", journal = j-IJQC, volume = "36", number = "S23", pages = "465--471", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Wheeler:1989:TSP, author = "Dale E. Wheeler and Leszek Czuchajowski and W. Daniel Edwards", title = "Theoretical studies of phenol disubstituted porphyrins", journal = j-IJQC, volume = "36", number = "S23", pages = "473--482", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Padilla:1989:TSS, author = "L. Padilla and R. Contreras and A. Aizman", title = "Theoretical study of solvent effects in the 1,3 rearrangement in the allyl--fluoride system in polar media", journal = j-IJQC, volume = "36", number = "S23", pages = "483--488", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cundari:1989:MOI, author = "Thomas R. Cundari and Russell S. Drago", title = "A molecular orbital investigation of {Ru}--oxo-catalyzed alcohol oxidations", journal = j-IJQC, volume = "36", number = "S23", pages = "489--499", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Guangju:1989:TSC, author = "Chen Guangju and Fang Decai and Fu Xiaoyuan", title = "Theoretical studies on the cycloaddition reaction of ethylene and formaldehyde", journal = j-IJQC, volume = "36", number = "S23", pages = "501--508", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Castillo:1989:TSP, author = "S. Castillo and E. Poulain and O. Novaro", title = "A theoretical study of the photochemistry of methylcopper hydride. {Activation} of the carbon-hydrogen bond", journal = j-IJQC, volume = "36", number = "S23", pages = "509--520", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Echenique:1989:ISI, author = "P. M. Echenique and I. Nagy and A. Arnau", title = "Interaction of slow ions with matter", journal = j-IJQC, volume = "36", number = "S23", pages = "521--543", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Peek:1989:MEM, author = "James M. Peek", title = "Molecular effects on mean excitation energies", journal = j-IJQC, volume = "36", number = "S23", pages = "545--552", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Smith:1989:FRB, author = "Vedene H. {Smith, Jr.}", title = "On a functional relationship between {Compton} profiles and stopping powers", journal = j-IJQC, volume = "36", number = "S23", pages = "553--555", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Oddershede:1989:OIK, author = "Jens Oddershede and John R. Sabin", title = "On the orbital implementation of the kinetic theory of stopping", journal = j-IJQC, volume = "36", number = "S23", pages = "557--563", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Bichsel:1989:ESD, author = "Hans Bichsel and T. Hiraoka", title = "Energy spectra and depth-dose curves for {70 MeV} protons", journal = j-IJQC, volume = "36", number = "S23", pages = "565--574", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cui:1989:MDS, author = "S. T. Cui and R. E. Johnson", title = "A molecular dynamics study of ejection of molecules from a vibrationally excited ``track'' in an amorphous solid", journal = j-IJQC, volume = "36", number = "S23", pages = "575--582", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Morrison:1989:EDM, author = "Robert C. Morrison", title = "An explicit density matrix functional of the {$(N - 1)$}-particle system when the {$N$}-particle system is known", journal = j-IJQC, volume = "36", number = "S23", pages = "583--590", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Csavinszky:1989:VDF, author = "P. Csavinszky", title = "A variational density-functional calculation of the total atomic binding energy with recently proposed kinetic-energy and exchange-energy functionals", journal = j-IJQC, volume = "36", number = "S23", pages = "591--597", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Becke:1989:BSF, author = "Axel D. Becke", title = "Basis-set-free density-functional quantum chemistry", journal = j-IJQC, volume = "36", number = "S23", pages = "599--609", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kohn:1989:DFT, author = "W. Kohn and E. K. U. Gross and L. N. Oliveira", title = "Density functional theory for superconductors", journal = j-IJQC, volume = "36", number = "S23", pages = "611--615", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Levy:1989:ACS, author = "Mel Levy", title = "Asymptotic coordinate scaling bound for exchange-correlation energy in density-functional theory", journal = j-IJQC, volume = "36", number = "S23", pages = "617--619", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ladik:1989:TCH, author = "J{\'a}nos J. Ladik and Peter Saalfrank and Richard F. Wood", title = "Theoretical considerations on high {T$_c$} superconductivity", journal = j-IJQC, volume = "36", number = "S23", pages = "621--630", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Geldart:1989:EIS, author = "D. J. W. Geldart and M. Rasolt", title = "Effective interactions, structure factors, and nonlocal correlations in many-electron systems", journal = j-IJQC, volume = "36", number = "S23", pages = "631--639", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Tanaka:1989:ESR, author = "Kazuyoshi Tanaka and Masahiro Kobashi and Tokio Yamabe", title = "Electronic structures and ring currents in planar carbon microcluster models", journal = j-IJQC, volume = "36", number = "S23", pages = "641--649", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Sim:1989:MLC, author = "Fiona Sim and C. R. A. Catlow", title = "{Mott--Littleton} calculations on defects in $\alpha$-quartz", journal = j-IJQC, volume = "36", number = "S23", pages = "651--675", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Scolfaro:1989:NDT, author = "Luisa M. R. Scolfaro and A. Fazzio", title = "Native defects and transition metal impurities at interstitial sites in {GaAs}", journal = j-IJQC, volume = "36", number = "S23", pages = "677--685", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mola:1989:AIM, author = "E. E. Mola and L. Blum", title = "The adsorption of incommensurate monolayers on an hexagonal substrate: {Lead} underpotentially deposited on silver (111)", journal = j-IJQC, volume = "36", number = "S23", pages = "687--692", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{DaSilva:1989:HPS, author = "E. C. F. {Da Silva} and L. V. C. Assali and J. R. Leite", title = "Hydrogen passivation of shallow donors in silicon", journal = j-IJQC, volume = "36", number = "S23", pages = "693--699", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360871", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lino:1989:ESM, author = "A. T. Lino and J. R. Leite and L. V. C. Assali and V. M. S. Gomes", title = "Electronic states of {Mn$_4$} complex cluster in silicon", journal = j-IJQC, volume = "36", number = "S23", pages = "701--708", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360872", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lima:1989:MST, author = "Gilson A. R. Lima and Adalberto Fazzio and Ronaldo Mota", title = "Metal-semiconductor transition in cerium hydrides", journal = j-IJQC, volume = "36", number = "S23", pages = "709--716", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360873", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Lea:1989:QMW, author = "M. J. Lea and N. H. March", title = "Quantum-mechanical {Wigner} electron crystallization with and without magnetic fields", journal = j-IJQC, volume = "36", number = "S23", pages = "717--729", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360874", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Buckingham:1989:ACH, author = "A. D. Buckingham", title = "{Andrew Crowther Hurley}: {Introductory} remarks", journal = j-IJQC, volume = "36", number = "S23", pages = "XXXI--XXXIII", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Ohrn:1989:Ib, author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner", title = "Introduction", journal = j-IJQC, volume = "36", number = "S23", pages = "IX--X", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Anonymous:1989:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "36", number = "S23", pages = "i--i", day = "1--8", month = apr, year = "1989", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560360801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 17:18:33 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } %%% ==================================================================== %%% Cross-referenced entries, and reviewed books, must come last, and %%% are sorted by year, then by citation label: @Book{Adamson:1964:UPC, author = "Arthur W. Adamson", title = "Understanding physical chemistry; a set of simple yet difficult examination questions and their methods of solution", publisher = pub-BENJAMIN, address = pub-BENJAMIN:adr, pages = "xix + 489 (two volumes)", year = "1964", LCCN = "QD453 .A26", bibdate = "Mon Oct 3 14:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, subject = "Chemistry, Physical and theoretical", tableofcontents = "pt. 1. Properties of matter, thermodynamics, chemical equilibrium.--pt. 2. Electrochemistry, kinetics, structure, and bonding", } @Book{Adamson:1969:UPC, author = "Arthur W. Adamson", title = "Understanding physical chemistry", publisher = pub-BENJAMIN, address = pub-BENJAMIN:adr, edition = "2d", pages = "xiii + 516", year = "1969", ISBN = "0-8053-0127-5", ISBN-13 = "978-0-8053-0127-4", LCCN = "QD456 .A3 1969", bibdate = "Mon Oct 3 14:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, subject = "Chemistry, Physical and theoretical; Problems, exercises, etc", } @Book{Stanley:1971:IPT, author = "H. Eugene (Harry Eugene) Stanley", title = "Introduction to phase transitions and critical phenomena", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "xx + 308 + 3", year = "1971", ISBN = "0-19-851257-0", ISBN-13 = "978-0-19-851257-8", LCCN = "QC307 .S7 1971", bibdate = "Mon Oct 3 16:23:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "The International series of monographs on physics", acknowledgement = ack-nhfb, remark = "Text on lining paper. Errata slip inserted.", subject = "Phase transformations (Statistical physics); Critical phenomena (Physics)", } @Book{Fraga:1979:AEL, author = "Serafin Fraga and K. M. S. Saxena and Jacek Karwowski", title = "Atomic energy levels: data for parametric calculations", volume = "4", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "ix + 482", year = "1979", ISBN = "0-444-41838-5", ISBN-13 = "978-0-444-41838-8", LCCN = "QC454.A8 F73", bibdate = "Mon Oct 3 15:51:58 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "fl 95.00", series = "Physical sciences data", acknowledgement = ack-nhfb, subject = "Atomic spectroscopy; Tables; Energy levels (Quantum mechanics)", } @Book{Pauncz:1979:SEC, author = "Ruben Pauncz", title = "Spin Eigenfunctions: Construction and Use", publisher = pub-PLENUM, address = pub-PLENUM:adr, pages = "xv + 370", year = "1979", ISBN = "0-306-40141-X", ISBN-13 = "978-0-306-40141-1", LCCN = "QD462.P38", bibdate = "Sat Jul 25 13:55:27 1998", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; https://www.math.utah.edu/pub/tex/bib/master.bib", acknowledgement = ack-nhfb, tableofcontents = "1. Introduction / 1 \\ 1.1. Electronic States with Definite Multiplicities / 1 \\ 1.2. Basic Facts with Respect to the Spin / 4 \\ 1.3. Spin Operators and Functions for One Electron / 5 \\ 1.4. Addition Theorem of Angular Momenta / 7 \\ References / 8 \\ 2: Construction of Spin Eigenfunctions from the Products of One-Electron Spin Functions / 9 \\ 2.1. The Resultant Spin Operator and the Dirac Identity / 9 \\ 2.2. Eigenfunctions of $S_z$ / 11 \\ 2.3. Construction of $S^2$ Eigenfunctions by the Diagonalization of the $S^2$ Matrix / 14 \\ 2.4. Construction of $S^2$ Eigenfunctions by the Orthogonalization Procedure / 16 \\ 2.5. Dimension of the Spin Degeneracy / 17 \\ 2.6. Genealogical Construction of Spin Eigenfunctions / 19 \\ 2.7. Branching Diagram / 21 \\ 2.8. Orthogonality of the Branching -Diagram Functions / 22 \\ 2.9. Special Properties of the Branching-Diagram Functions / 23 \\ 2.10. Ordering of the Primitive Spin Functions; the Path Diagram / 25 \\ 2.11. Expression for $X(N, S, S; 1)$ / 28 \\ 2.12. Expression for $X(N, S, S; f)$ / 29 \\ 2.13. The Coefficient of a Primitive Spin Function in a Given Branching-Diagram Function / 30 \\ References / 32 \\ 3. Construction of Spin Eigenfunctions from the Products of Two-Electron Spin Eigenfunctions / 33 \\ 3.1. Serber-Type Construction of Spin Eigenfunctions / 33 \\ 3.2. Formulas for the Serber Construction / 34 \\ 3.3. Geminal Spin Product Functions; Serber Path Diagram / 36 \\ 3.4. Special Properties of the Serber Functions / 38 \\ 3.5. The Coefficient of a Geminal Product Function in a Given Serber Function / 41 \\ 3.6. The Algorithm of Carrington and Doggett / 43 \\ 3.7. Construction of Serber-Type Functions by Direct Diagonalization of the $S^2$ Matrix / 43 \\ 3.7.1. $S^2$ Matrix for an Even Number of Electrons / 44 \\ 3.7.2. $S^2$ Matrix for an Odd Number of Electrons / 45 \\ 3.8. Construction of Spin Eigenfunctions from Those of Two Subsystems / 46 \\ References / 48 \\ 4. Construction of Spin Eigenfunctions by the Projection Operator Method / 49 \\ 4.1. Projection Operator Method / 49 \\ 4.1.1. Trial Function / 49 \\ 4.1.2. The Projection Operator / 50 \\ 4.2. The Projection of the First Primitive Function / 52 \\ 4.3. The Projection of an Arbitrary Primitive Spin Function / 56 \\ 4.4. The Choice of Spin Functions Whose Projections Are Linearly Independent / 56 \\ 4.5. Relation between the Projected Functions and the Branching-Diagram Functions / 60 \\ 4.6. Projected Functions for $S > M$; Sanibel Coefficients / 61 \\ 4.7. Sasaki and Ohno's Derivation of the Sanibel Coefficients / 63 \\ 4.8. Derivation of the Sanibel Coefficients from the Vector-Coupling Coefficients / 67 \\ 4.9. Sanibel Coefficients by the Group Theoretical Projection Operator Method / 68 \\ 4.10. The Construction of Serber-Type Functions by the Projection Operator Method / 71 \\ 4.11. The Overlap Matrix of the Projected Spin Functions / 74 \\ References / 75 \\ 5. Spin-Paired Spin Eigenfunctions / 77 \\ 5.1. Spin-Paired Spin Eigenfunctions / 77 \\ 5.2. Extended Rumer Diagrams / 79 \\ 5.3. Linear Independence of Extended Rumer Functions / 80 \\ 5.4. The Relation between Rumer Functions and Branching-Diagram Functions / 82 \\ 5.5. The Relation between Rumer Functions and Serber-Type Functions / 83 \\ 5.6. Matrix Elements between the Spin-Paired Functions / 86 \\ 5.6.1. Islands / 87 \\ 5.6.2 O Chain / 87 \\ 5.6.3 E Chain / 88 \\ References / 89 \\ 6. Basic Notions of the Theory of the Symmetric Group / 91 \\ 6.1. Introduction / 91 \\ 6.2. Permutations; Cyclic Structure / 91 \\ 6.3. Young Frames; Young Tableaux / 96 \\ 6.4. The Symmetric Group Algebra: Young Operators / 97 \\ 6.4.1. Young Operators / 99 \\ 6.4.2. Ordering of the Standard Tableaux / 100 \\ 6.4.3. Yamanouchi Symbol / 100 \\ 6.4.4. The Young Operator $E_{r s}^\alpha$ / 103 \\ 6.4.5. Alternative Definition or the Young Operators / 105 \\ 6.5. Representations of the Symmetric Group / 106 \\ 6.5.1. Young's Orthogonal Representation / 106 \\ 6.5.2. Young's Natural Representation / 107 \\ 6.6. Matric Basis of the Symmetric Group Algebra / 109 \\ 6.6.1. Calculation of the Characters of the Symmetric Group / 111 \\ 6.6.2. Matsen's Method for the Construction of Matric Units / 112 \\ 6.6.3. Salmon's Method for the Construction of Matric Units / 114 \\ References / 115 \\ 7. Representations of the Symmetric Group Generated by the Spin Eigenfunctions / 117 \\ 7.1. Introduction / 117 \\ 7.2. The Genealogical Spin Functions Generate a Representation of the Symmetric Group / 117 \\ 7.3. Recursive Construction of the Representation Matrices: Yamanouchi--Kotani Method / 120 \\ 7.3.1. Permutations That Do Not Affect the Last Number $N$ / 120 \\ 7.3.2. The Transposition $(N - 1, N)$ / 122 \\ 7.4. Relation between the Yamanouchi--Kotani Representation and the Young Orthogonal Representation / 124 \\ 7.4.1. Dimension of the Representation / 124 \\ 7.4.2. One-to-One Correspondence between the Young Tableaux and Branching-Diagram Functions / 125 \\ 7.4.3. Identity of the Young Orthogonal and the Yamanouchi--Kotani Representation / 126 \\ 7.5. Construction of the Spin Functions from the Representation Matrices / 129 \\ 7.6. Construction of the Branching-Diagram Functions by Use of the Matric Units / 131 \\ 7.6.1. Conditions for Nonvanishing $e_{i i}^\alpha \theta$ / 133 \\ 7.6.2. The Character Projection Operator / 134 \\ 7.6.3. Construction of the Branching-Diagram Functions by Use of the Matric Units; Salmon's Procedure / 136 \\ 7.7. Representation of the Symmetric Group Generated by the Serber-Type Spin Functions / 138 \\ 7.7.1. Direct Method for the Calculation of the Representation Matrix / 138 \\ 7.7.2. Recursive Calculation of the Representation Matrix / 139 \\ 7.8. The Relation between the Serber and the Young--Yamanouchi Representations. / 141 \\ 7.8.1. The Transformation Matrix / 141 \\ 7.8.2. Recursive Construction of the Transformation Matrix / 142 \\ 7.9. Matric Basis of the Serber Representation / 145 \\ 7.10. Representation Generated by the Spin-Coupled Functions / 147 \\ 7.11. Relation between the Young--Yamanouchi and the Reduced Representations / 149 \\ References / 151 \\ 8. Representations of the Symmetric Group Generated by the Projected Spin Functions and Valence Bond Functions / 153 \\ 8.1. Introduction / 153 \\ 8.2. Representation Generated by the Projected Spin Functions / 153 \\ 8.3. Construction of the Projected Spin Functions by the Use of the Young Operator / 156 \\ 8.4. Construction of the Projected Spin Functions by the Character Projection Operator / 158 \\ 8.5. Representation Generated by the Rumer Functions / 159 \\ 8.6. Construction of the Spin-Paired Functions from the Alternative Young Operators / 160 \\ 8.7. The Linear Independence of $V_f$'s and Their Relation to the Genealogical Functions / 162 \\ References / 163 \\ 9. Combination of Spatial and Spin Functions; Calculation of the Matrix Elements of Operators / 165 \\ 9.1. Introduction / 165 \\ 9.2. Construction of Antisymmetric Wave Function / 165 \\ 9.3. Separation of $\Psi_i$ into Spatial and Spin Functions / 168 \\ 9.4. The Spatial Functions $\Phi_{j,i}^S$ Generate a Representation of $S_N$ / 169 \\ 9.5. Calculation of the Matrix Elements of the Hamiltonian / 172 \\ 9.6. Computational Aspects of the Basic Formulas / 175 \\ 9.7. The Form of the Spatial Function $\Phi$ / 177 \\ References / 179 \\ 10. Calculation of the Matrix Elements of the Hamiltonian; Orthogonal Spin Functions / 181 \\ 10.1. Introduction / 181 \\ 10.2. Spatial Functions with a Number of Doubly Occupied Orbitals; Branching-Diagram Spin Functions / 181 \\ 10.3. Calculation of the Energy Matrix / 185 \\ 10.3.1. Alternative Method for the Calculation of the Invariant Part / 189 \\ 10.3.2. Calculation of the Energy Matrix for the Case of Orthogonal Orbitals / 189 \\ 10.4. Matrix Elements of the Hamiltonian for Serber-Type Spin Functions 1 / 92 \\ 10.4.1. Notation for the Spatial Functions / 192 \\ 10.4.2. Geminal Spin Harmonics / 192 \\ 10.4.3. Normalization Integral / 193 \\ 10.4.4. The Lineup Permutation / 194 \\ 10.4.5. The Wave Functions Form an Orthonormal Set / 194 \\ 10.4.6. The Form of the Hamiltonian / 195 \\ 10.4.7. Reduction of the Sum over the Permutations / 196 \\ 10.4.8. Reduction of the Sum over Electron Pairs / 197 \\ 10.4.9. Matrix Elements of the Hamiltonian / 198 \\ 10.5. Calculation of the Matrix Elements of the Hamiltonian for Spin-Coupled Wave Functions / 200 \\ 10.6. Calculation of the Energy for a Single Configuration / 203 \\ 10.6.1. One-Electron Operators / 203 \\ 10.6.2. Two-Electron Operators / 205 \\ References / 207 \\ 11. Calculation of the Matrix Elements of the Hamiltonian; Nonorthogonal Spin Functions / 209 \\ 11.1. Introduction / 209 \\ 11.2. A Single Configuration; Projected Spin Function / 209 \\ 11.3. Different Orbitals for Different Spins / 211 \\ 11.3.1. Alternant Molecular Orbitals / 212 \\ 11.3.2. Calculation of the Normalization Integral / 212 \\ 11.4. Many-Configuration Wave Function; Projection Operator Method / 213 \\ 11.4.1. The Reference Permutation / 214 \\ 11.4.2. Summation over the Subgroup $S_v$ / 215 \\ 11.4.3. The Spatial Integrals / 216 \\ 11.4.4. Matrix Elements / 217 \\ 11.5. Many-Configuration Wave Function; Bonded Functions / 219 \\ 11.5.1. The Matching Rearrangement / 220 \\ 11.5.2. The Effect of Double Occupancy / 220 \\ 11.5.3. Matrix Elements of the Spin Functions / 221 \\ 11.5.4. Matrix Elements of the Transpositions / 222 \\ 11.5.5. Matrix Element of the Hamiltonian between Two Functions / 223 \\ 11.5.6. Matrix Elements in Terms of Bonded Functions / 224 \\ References / 227 \\ 12. Spin-Free Quantum Chemistry / 229 \\ 12.1. Introduction / 229 \\ 12.2. The Decomposition of the Antisymmetrizer / 230 \\ 12.3. Spin-Free Hamiltonian / 232 \\ 12.4. Construction of Spatial Functions $\Phi_{i k}^\nu$ / 233 \\ 12.5. Invariance Group of the Primitive Ket / 234 \\ 12.6. The Coset Representation Generated by the Invariance Group / 235 \\ 12.6.1. Decomposition of the Vector Space $V(\phi)$ / 237 \\ 12.6.2. Factorization of the Secular Equations / 239 \\ 12.7. Construction of the Invariant Subspaces by Means of the Orthogonal Units / 240 \\ 12.7.1. The Immanant Function / 240 \\ 12.7.2. The Antisymmetric Space Spin Counterpart of the Immanant / 244 \\ 12.8. Structure Projections / 246 \\ 12.8.1. The Pair Diagram / 246 \\ 12.8.2. The Pair Operators / 247 \\ 12.8.3. Construction of Spin-Free Pair Functions / 250 \\ 12.8.4. Pair Projections in the Function Space / 250 \\ 12.8.5. Spin-Free Exclusion Principle / 251 \\ 12.9. Matrix Elements of the Hamiltonian over the Structure Projections / 252 \\ 12.10. Spin-Free Counterpart of the Projected Function / 256 \\ 12.11. Gallup's Formulation of Spin-Free Quantum Chemistry / 259 \\ 12.12. Calculation of Pauling Numbers / 263 \\ References / 265 \\ 13. Matrix Elements of the Hamiltonian and the Representation of the Unitary Group / 267 \\ 13.1. Introduction / 267 \\ 13.2. Formulation of the Hamiltonian / 267 \\ 13.3. Basic Notions about the Unitary Group / 270 \\ 13.4. Irreducible Representations of the Unitary Group / 272 \\ 13.4.1. The Gel'fand--Tsetlin Representation of the Generator Algebra / 273 \\ 13.4.2. Group-Theoretical Meaning of the Gel'fand Pattern / 275 \\ 13.5. The Representation Matrices of $E_{i j}$'s / 275 \\ 13.5.1. The Diagonal Generators $E_{i i}$ / 276 \\ 13.5.2. The Raising Generators $E_{i j} (i < j)$ / 277 \\ 13.5.3. The Lowering Generators $E_{j i} (i < j)$ / 278 \\ 13.5.4. Gel'fand--Tsetlin Formula for the Matrix of $E_{i, i + 1}$ / 278 \\ 13.6. Weyl Tableaux / 280 \\ 13.7. The $N$th-Rank Tensor Space and Its Decomposition into Invariant Subspaces / 282 \\ 13.8. Exclusion Principle and Gel'fand States / 286 \\ 13.9. Matrix Elements of the Generators for Paldus Tableaux / 289 \\ 13.9.1. Basis Generation / 289 \\ 13.9.2. Matrix Elements of the Generators / 290 \\ 13.10. Matrix Element of the Generators; Downward-Robb Algorithm / 291 \\ 13.10.1. Basis Generation / 292 \\ 13.10.2. Eigenvalues of the Diagonal Generators / 297 \\ 13.10.3. Generators $E_{i j}$ / 297 \\ 13.11. Graphical Representation of the Basis Functions; Relation to the Configuration Interaction Method / 298 \\ References / 299 \\ Appendix 1. Some Basic Algebraic Notions / 301 \\ A.1.1. Introduction / 301 \\ A.1.2. Frobenius or Group Algebra; Convolution Algebra / 301 \\ A.1.2.1. Invariant Mean / 302 \\ A.1.2.2. Frobenius or Group Algebra / 302 \\ A.1.2.3. Convolution Algebra / 303 \\ A.1.3. Some Algebraic Notions / 303 \\ A.1.4. The Centrum of the Algebra / 304 \\ A.1.5. Irreducible Representations; Schur's Lemma / 309 \\ A.1.6. The Matric Basis / 310 \\ A.1.7. Symmetry Adaptation / 314 \\ A.1.8. Wigner--Eckart Theorem / 315 \\ References / 316 \\ Appendix 2. The Coset Representation / 317 \\ A.2.1. Introduction / 317 \\ A.2.2. The Character of an Element $g$ in the Coset Representation / 318 \\ Appendix 3. Double Coset / 321 \\ A.3.1. The Double Coset Decomposition / 321 \\ A.3.2. The Number of Elements in a Double Coset / 323 \\ Appendix 4. The Method of Spinor Invariants / 325 \\ A.4.1. Spinors and Their Transformation Properties / 325 \\ A.4.2. The Method of Spinor Invariants / 326 \\ A.4.3. Construction of the Genealogical Spin Functions by the Method of Spinor Invariants / 326 \\ A.4.4. Normalization Factors / 327 \\ A.4.5. Construction of the Serber Functions by the Method of Spinor Invariants / 329 \\ A.4.6. Singlet Functions as Spinor Invariants / 332 \\ References / 332 \\ Appendix 5. Construction of Total Wave Functions That Are Eigenfunctions of $S^2$ by the Method of Second Quantization / 333 \\ A.5.1. The Formalism of Second Quantization / 333 \\ A.5.2. Representation of the Spin Operators in the Second-Quantization Formalism / 335 \\ A.5.3. Review of the Papers That Use the Second-Quantization Formalism for the Construction of Spin Eigenfunctions / 336 \\ A.5.3.1. Genealogical Construction / 336 \\ A.5.3.2. Projection Operator Method / 337 \\ A.5.3.3. Valence Bond Method / 337 \\ A.5.3.4. The Occupation-Branching-Number Representation / 337 \\ References / 338 \\ Appendix 6. Table of Sanibel Coefficients / 339 \\ Reference / 341 \\ Bibliography / 343 \\ Author Index / 363 \\ Subject Index 367", } @Book{Pethig:1979:DEP, author = "Ronald Pethig", title = "Dielectric and electronic properties of biological materials", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xiv + 376", year = "1979", ISBN = "0-471-99728-5", ISBN-13 = "978-0-471-99728-3", LCCN = "QH517 .P47", bibdate = "Mon Oct 3 15:10:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, subject = "Electrophysiology; Dielectrics; Macromolecules; Electric properties", } @Book{Setser:1979:RIG, editor = "D. W. Setser", title = "Reactive intermediates in the gas phase: generation and monitoring", publisher = pub-ACADEMIC, address = pub-ACADEMIC:adr, pages = "x + 358", year = "1979", ISBN = "0-12-637450-3", ISBN-13 = "978-0-12-637450-6", LCCN = "QD501 .R346", bibdate = "Mon Oct 3 16:14:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, subject = "Chemical reaction, Conditions and laws of; Intermediates (Chemistry)", } @Book{Wieting:1979:EPL, editor = "T. J. Wieting and Michael Schl{\"u}ter", title = "Electrons and phonons in layered crystal structures", volume = "3", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "x + 474", year = "1979", ISBN = "90-277-0841-X, 90-277-0897-5", ISBN-13 = "978-90-277-0841-0, 978-90-277-0897-7", LCCN = "QD921 .E5", bibdate = "Mon Oct 3 15:25:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Physics and chemistry of materials with layered structures", acknowledgement = ack-nhfb, subject = "Layer structure (Solids); Electrons; Phonons", } @Book{Adamson:1980:UPC, author = "Arthur W. Adamson", title = "Understanding physical chemistry", publisher = pub-BENCUM, address = pub-BENCUM:adr, edition = "3d", pages = "xii + 482", year = "1980", ISBN = "0-8053-0128-3", ISBN-13 = "978-0-8053-0128-1", LCCN = "QD456 .A3 1980", bibdate = "Mon Oct 3 14:45:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, subject = "Chemistry, Physical and theoretical; Problems, exercises, etc", } @Book{Carsky:1980:ICM, author = "Petr {\v{C}}{\'a}rsky and Miroslav Urban", title = "Ab initio calculations: methods and applications in chemistry", volume = "16", publisher = pub-SV, address = pub-SV:adr, pages = "vi + 247", year = "1980", ISBN = "3-540-10005-9, 0-387-10005-9", ISBN-13 = "978-3-540-10005-8, 978-0-387-10005-0", LCCN = "QD462", bibdate = "Mon Oct 3 14:21:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.gbv.de:20011/gvk", series = "Lecture notes in chemistry", acknowledgement = ack-nhfb, } @Book{DelRe:1980:ESM, author = "Giuseppe {Del Re} and Gaston Berthier and Josiane Serre", title = "Electronic states of molecules and atom clusters: foundations and prospects of semiempirical methods", volume = "13", publisher = pub-SV, address = pub-SV:adr, year = "1980", ISBN = "3-540-09738-4, 0-387-09738-4", ISBN-13 = "978-3-540-09738-9, 978-0-387-09738-1", LCCN = "QD461", bibdate = "Wed Oct 5 08:24:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.bibsys.no:2100/BIBSYS", series = "Lecture notes in chemistry", acknowledgement = ack-nhfb, } @Book{Malinowski:1980:FAC, author = "Edmund R. Malinowski and Darryl G. Howery", title = "Factor analysis in chemistry", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "ix + 251", year = "1980", ISBN = "0-471-05881-5", ISBN-13 = "978-0-471-05881-6", LCCN = "QD39.3.M3 M34", bibdate = "Mon Oct 3 15:11:30 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "US\$23.50 (est.)", URL = "http://www.loc.gov/catdir/enhancements/fy0607/79027081-d.htm; http://www.loc.gov/catdir/enhancements/fy0607/79027081-t.htm", acknowledgement = ack-nhfb, remark = "A Wiley-Interscience publication.", subject = "Chemistry; Statistical methods; Factor analysis", } @Book{Mulliken:1981:PMR, editor = "Robert Sanderson Mulliken and Walter C. Ermler", title = "Polyatomic molecules: results of ab initio calculations", publisher = pub-ACADEMIC, address = pub-ACADEMIC:adr, pages = "xvi + 431", year = "1981", ISBN = "0-12-509860-X", ISBN-13 = "978-0-12-509860-1", LCCN = "QD461 .M79 1981", bibdate = "Mon Oct 3 15:19:09 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, } @Book{Richards:1981:SOC, author = "W. G. (William Graham) Richards and H. P. Trivedi and D. L. Cooper", title = "Spin-orbit coupling in molecules", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "viii + 105", year = "1981", ISBN = "0-19-855614-4", ISBN-13 = "978-0-19-855614-5", LCCN = "QD461 .R476 1981", bibdate = "Wed Oct 5 08:53:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "The International series of monographs on chemistry", acknowledgement = ack-nhfb, remark = "Microfiche, containing some of the listings of spin-orbit routines, in pocket.", subject = "Molecular orbitals; Mathematics; Quantum chemistry", } @Book{Csizmadia:1982:MSC, editor = "I. G. Csizmadia", title = "Molecular structure and conformation: recent advances", volume = "3", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "344", year = "1982", ISBN = "0-444-42089-4", ISBN-13 = "978-0-444-42089-3", LCCN = "QD461 .M628 1982", bibdate = "Mon Oct 3 16:29:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "fl 220.00 (est.)", series = "Progress in theoretical organic chemistry", acknowledgement = ack-nhfb, subject = "Molecular structure; Physical organic chemistry", } @Book{Ohno:1982:QCLa, author = "Kimio Ohno and Keiji Morokuma", title = "Quantum chemistry literature data base: bibliography of ab initio calculations for 1978--1980", volume = "12", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "ix + 459", year = "1982", ISBN = "0-444-42074-6 (vol. 12), 0-444-41689-7 (ensemble)", ISBN-13 = "978-0-444-42074-9 (vol. 12), 978-0-444-41689-6 (ensemble)", LCCN = "Z5524.Q35 O38 1982", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", series = "Physical sciences data", acknowledgement = ack-nhfb, remark = "Les mises {\`a} jour annuelles de cet ouvrage paraissent dans: Journal of molecular structure.", subject = "Chimie quantique; Bibliographie; Quantum chemistry; Bibliography", } @Book{Ohno:1982:QCLb, editor = "Kimio Ohno and Keiji Morokuma", title = "Quantum chemistry literature data base: supplement 1: bibliography of ab initio calculations for 1981", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "252", year = "1982", ISSN = "0022-2860", LCCN = "????", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", series = "See: Journal of Molecular Structure. Theochem: Vol. 91, Nos. 1--2, 1982", acknowledgement = ack-nhfb, remark = "Mise \`a jour de: Ohno, Kimio. Quantum \ldots{}for 1978--1980.", subject = "Chimie quantique; Bibliographie", } @Book{Ohno:1982:QCLc, editor = "Kimio Ohno and Keiji Morokuma", title = "Quantum chemistry literature data base. Supplement 1: bibliography of ab initio calculations for 1981", volume = "91, no. 1/2; vol. 8", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "252", year = "1982-1983", ISSN = "0022-2860", LCCN = "????", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", series = "Journal of molecular structure; Theochem, 0166-1280", acknowledgement = ack-nhfb, } @Book{Stranges:1982:EVD, author = "Anthony N. (Anthony Nicholas) Stranges", title = "Electrons and valence: development of the theory, 1900--1925", publisher = "Texas A\&M University Press", address = "College Station", pages = "xii + 291 + 2", year = "1982", ISBN = "0-89096-124-7", ISBN-13 = "978-0-89096-124-7", LCCN = "QD469 .S73 1982", bibdate = "Mon Oct 3 14:31:32 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "US\$28.50", URL = "http://www.loc.gov/catdir/enhancements/fy1003/81048378-b.htm", acknowledgement = ack-nhfb, subject = "Valence (Theoretical chemistry)", } @Book{Bonchev:1983:ITI, author = "Danail Bonchev", title = "Information theoretic indices for characterization of chemical structures", volume = "5", publisher = "Research Studies Press", address = "Chichester, West Sussex, UK", pages = "xiv + 249", year = "1983", ISBN = "0-471-90087-7", ISBN-13 = "978-0-471-90087-0", LCCN = "QD471 .B76 1983", bibdate = "Mon Oct 3 16:18:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "US\$59.00", series = "Chemometrics series", acknowledgement = ack-nhfb, subject = "Chemical structure; Information theory in chemistry", } @Book{Ohno:1983:QCL, editor = "K. (Kimio) Ohno and K. (Keiji) Morokuma", title = "Quantum chemistry literature data base: Supplement 2, Bibliography of ab initio calculations for 1982", volume = "15", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "215", year = "1983", ISSN = "0166-1280 (print), 1872-7999 (electronic)", LCCN = "Z5524.Q35 Q35 1983", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", series = "Theochem", acknowledgement = ack-nhfb, remark = "Includes indexes.", subject = "Quantum chemistry; Bibliography", } @Book{Craig:1984:MQE, author = "D. P. Craig and T. Thirunamachandran", title = "Molecular quantum electrodynamics: an introduction to radiation-molecule interactions", volume = "8", publisher = pub-ACADEMIC, address = pub-ACADEMIC:adr, pages = "xi + 324", year = "1984", ISBN = "0-12-195080-8", ISBN-13 = "978-0-12-195080-4", LCCN = "QC680 .C73 1984", bibdate = "Mon Oct 3 16:27:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Theoretical chemistry", acknowledgement = ack-nhfb, subject = "Quantum electrodynamics; Molecular dynamics; Chemistry, Physical and theoretical", } @Book{Fischer:1984:VCI, author = "Gad Fischer", title = "Vibronic coupling: the interaction between the electronic and nuclear motions", publisher = "Academic Press", address = "London, UK", pages = "viii + 222", year = "1984", ISBN = "0-12-257240-8", ISBN-13 = "978-0-12-257240-1", LCCN = "QD461 F45 1984", bibdate = "Wed Oct 5 09:15:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; library.ox.ac.uk:210/ADVANCE", acknowledgement = ack-nhfb, subject = "Chemical bonds; Molecular structure", } @Book{Ohno:1984:QCL, editor = "Kimio Ohno and Keiji Morokuma", title = "Quantum chemistry literature data base: Supplement 3: bibliography of ab initio calculations for 1983", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "229", year = "1984", LCCN = "????", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, subject = "Chimie quantique; Bibliographie", } @Book{Daudel:1985:SDM, editor = "Raymond Daudel and others", title = "Structure and dynamics of molecular systems", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "????", year = "1985", ISBN = "90-277-1977-2 (vol. 1), 90-277-2246-3 (vol. 2)", ISBN-13 = "978-90-277-1977-5 (vol. 1), 978-90-277-2246-1 (vol. 2)", LCCN = "QD461 .S924 1985", bibdate = "Mon Oct 3 16:07:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "US\$40.00", acknowledgement = ack-nhfb, remark = "Invited lectures given at the international seminar of the same title held at the Centre de m{\'e}canique ondulatoire appliqu{\'e}e du Centre national de la recherche scientifique in Paris (France) from October 1983 to May 1985.", subject = "Molecular structure; Congresses; Molecular dynamics", } @Book{Davydov:1985:SMS, author = "A. S. (Aleksandr Sergeevich) Davydov", title = "Solitons in molecular systems", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "xviii + 319", year = "1985", ISBN = "90-277-1854-7", ISBN-13 = "978-90-277-1854-9", LCCN = "QC174.26.W28 D38 1985", bibdate = "Mon Oct 3 15:58:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Mathematics and its applications (Soviet series)", acknowledgement = ack-nhfb, subject = "Solitons; Exciton theory; Molecules", } @Book{Hinchliffe:1985:ME, author = "Alan Hinchliffe and Robert W. Munn", title = "Molecular electromagnetism", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "x + 252", year = "1985", ISBN = "0-471-10292-X (hardcover), 0-471-90721-9 (paperback)", ISBN-13 = "978-0-471-10292-2 (hardcover), 978-0-471-90721-3 (paperback)", LCCN = "QC760 .H55 1985", bibdate = "Wed Oct 5 09:05:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.libris.kb.se:210/libr; z3950.loc.gov:7090/Voyager", price = "UK \pounds 23.00, UK\pounds 12.50", acknowledgement = ack-nhfb, subject = "electromagnetism", } @Book{Ohno:1985:QCL, editor = "Kimio Ohno and Keiji Morokuma", title = "Quantum chemistry literature data base: Supplement 4: bibliography of ab initio calculations for 1984", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "298", year = "1985", LCCN = "????", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, subject = "Chimie quantique; Bibliographie", } @Book{Poirier:1985:HGB, author = "Raymond Poirier and Roy Kari and I. G. Csizmadia", title = "Handbook of {Gaussian} basis sets: a compendium for ab-initio molecular orbital calculations", volume = "24", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "xii + 674", year = "1985", ISBN = "0-444-42493-8", ISBN-13 = "978-0-444-42493-8", LCCN = "QD461 .P63 1985", bibdate = "Mon Oct 3 16:29:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Physical sciences data", acknowledgement = ack-nhfb, subject = "Molecular orbitals; Gaussian basis sets (Quantum mechanics)", } @Book{Sadlej:1985:SEM, author = "Joanna Sadlej", title = "Semi-empirical methods of quantum chemistry", publisher = pub-ELLIS-HORWOOD, address = pub-ELLIS-HORWOOD:adr, pages = "xiv + 386", year = "1985", ISBN = "0-85312-167-2, 0-470-27547-2 (Halsted Press)", ISBN-13 = "978-0-85312-167-1, 978-0-470-27547-4 (Halsted Press)", LCCN = "QD462 .S2313 1985", bibdate = "Wed Oct 5 09:31:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Ellis Horwood series in chemical science", acknowledgement = ack-nhfb, remark = "Translated from the Polish. Errata slip inserted.", subject = "Quantum chemistry; Molecular orbitals", } @Book{Szasz:1985:PTA, author = "Levente Szasz", title = "Pseudopotential theory of atoms and molecules", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xi + 309", year = "1985", ISBN = "0-471-82417-8", ISBN-13 = "978-0-471-82417-6", LCCN = "QD461 .S988196 1985", bibdate = "Mon Oct 3 16:20:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "US\$42.50 (est.)", acknowledgement = ack-nhfb, remark = "A Wiley-Interscience publication.", subject = "Atomic theory; Molecular theory; Pseudopotential method", } @Book{Altmann:1986:RQD, author = "Simon L. Altmann", title = "Rotations, quaternions, and double groups", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "xiv + 317", year = "1986", ISBN = "0-19-855372-2", ISBN-13 = "978-0-19-855372-4", LCCN = "QC174.17.R65 A48 1986", bibdate = "Wed Oct 5 08:57:17 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Oxford science publications", URL = "http://www.loc.gov/catdir/enhancements/fy0639/85013615-d.html", acknowledgement = ack-nhfb, subject = "rotation groups; quaternions; finite groups; representations of groups", } @Book{Fleming:1986:CAU, author = "Graham R. Fleming", title = "Chemical applications of ultrafast spectroscopy", volume = "13", publisher = pub-OXFORD, address = pub-OXFORD:adr, pages = "ix + 262", year = "1986", ISBN = "0-19-503644-1", ISBN-13 = "978-0-19-503644-2", LCCN = "QD96.L3 F57 1986", bibdate = "Mon Oct 3 18:36:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "The International series of monographs on chemistry; Oxford science publications", URL = "http://www.loc.gov/catdir/enhancements/fy0638/85004949-d.htm", acknowledgement = ack-nhfb, subject = "Laser spectroscopy; Picosecond pulses", } @Book{Gerloch:1986:OTS, author = "M. Gerloch", title = "Orbitals, terms and states", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xii + 176", year = "1986", ISBN = "0-471-90935-1, 0-471-90936-X (paperback)", ISBN-13 = "978-0-471-90935-4, 978-0-471-90936-1 (paperback)", LCCN = "QD461 .G37 1986", bibdate = "Wed Oct 5 11:32:35 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, subject = "molecular orbitals", } @Book{Naray-Szabo:1986:TCB, editor = "G\'abor N\'aray-Szab\'o", title = "Theoretical chemistry of biological systems", volume = "41", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "xiii + 504", year = "1986", ISBN = "0-444-42597-7 (US)", ISBN-13 = "978-0-444-42597-3 (US)", LCCN = "QP517.M3 T47 1986", bibdate = "Mon Oct 3 15:43:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Studies in physical and theoretical chemistry", acknowledgement = ack-nhfb, subject = "Biochemistry; Mathematical models; Biomolecules; Structure-activity relationships (Biochemistry); Biophysics; Chemistry, Physical and theoretical; Models, Theoretical", } @Book{Ohno:1986:QCL, editor = "Kimio Ohno and Keiji Morokuma", title = "Quantum chemistry literature data base: supplement 5: bibliography of ab initio calculations for 1985", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "525", year = "1986", LCCN = "????", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, subject = "Chimie quantique; Bibliographie", } @Book{Pyykko:1986:RTA, author = "Pekka Pyykk{\"o}", title = "Relativistic theory of atoms and molecules: a bibliography, 1916--1985", volume = "41", publisher = pub-SV, address = pub-SV:adr, pages = "ix + 389", year = "1986", ISBN = "0-387-17167-3 (paperback)", ISBN-13 = "978-0-387-17167-8 (paperback)", LCCN = "Z5524.A6 P99 1986", bibdate = "Mon Oct 3 16:38:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Lecture notes in chemistry", acknowledgement = ack-nhfb, subject = "Atomic theory; Bibliography; Molecular theory", } @Book{Sewell:1986:QTC, author = "G. L. Sewell", title = "Quantum theory of collective phenomena", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "xiii + 229", year = "1986", ISBN = "0-19-851371-2", ISBN-13 = "978-0-19-851371-1", LCCN = "????", bibdate = "Wed Oct 5 09:19:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; library.ox.ac.uk:210/ADVANCE", series = "Monographs on the physics and chemistry of materials", acknowledgement = ack-nhfb, subject = "Phase transformations (Statistical physics); Quantum theory; Statistical thermodynamics", } @Book{Trinajstic:1986:MCC, editor = "Nenad Trinajsti{\'c}", title = "Mathematical and computational concepts in chemistry", publisher = pub-ELLIS-HORWOOD, address = pub-ELLIS-HORWOOD:adr, pages = "365", year = "1986", ISBN = "0-470-20289-0 (Halsted Press)", ISBN-13 = "978-0-470-20289-0 (Halsted Press)", LCCN = "QD39.3.M3 I57 1985", bibdate = "Mon Oct 3 16:36:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Ellis Horwood series, mathematics and its applications", acknowledgement = ack-nhfb, meetingname = "International Symposium on Applications of Mathematical Concepts to Chemistry (1985: Dubrovnik, Croatia)", remark = "Cover title: Mathematics and computational concepts in chemistry.. ``Published for the International Union of Pure and Applied Chemistry.''.. ``Sponsored by IUPAC \ldots{} [et al.]''--P. facing t.p.", subject = "Chemistry; Mathematics; Congresses", } @Book{Dence:1987:IPC, author = "Joseph B. Dence and Dennis J. Diestler", title = "Intermediate physical chemistry: stationary properties of chemical systems", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xi + 344", year = "1987", ISBN = "0-471-81243-9", ISBN-13 = "978-0-471-81243-2", LCCN = "QD453.2 .D46 1987", bibdate = "Mon Oct 3 15:37:32 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, remark = "A Wiley-Interscience publication.", subject = "Chemistry, Physical and theoretical; Chimie physique et th\'eorique; Physikalische Chemie; Quantenphysik; Aufsatzsammlung; Statistische Mechanik; Theoretische Chemie; Lehrbuch; Quantenchemie", } @Book{Lawley:1987:IMQ, editor = "K. P. Lawley", title = "Ab initio methods in quantum chemistry", volume = "67, 69", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "566 (vol. 1), 588 (vol. 2)", year = "1987", ISBN = "0-471-90900-9 (v. 1), 0-471-90901-7 (v. 2)", ISBN-13 = "978-0-471-90900-2 (v. 1), 978-0-471-90901-9 (v. 2)", LCCN = "QD453 .A27 vol. 67", bibdate = "Mon Oct 3 16:21:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Advances in chemical physics", acknowledgement = ack-nhfb, remark = "A Wiley-Interscience publication.", subject = "Quantum chemistry", } @Book{Stanley:1987:IPT, author = "H. Eugene (Harry Eugene) Stanley", title = "Introduction to phase transitions and critical phenomena", publisher = pub-OXFORD, address = pub-OXFORD:adr, pages = "xx + 308", year = "1987", ISBN = "0-19-505316-8 (paperback)", ISBN-13 = "978-0-19-505316-6 (paperback)", LCCN = "QC175.16.P5 S72 1987", bibdate = "Mon Oct 3 16:23:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", URL = "http://www.loc.gov/catdir/enhancements/fy0603/87012357-d.htm; http://www.loc.gov/catdir/enhancements/fy0603/87012357-t.htm", acknowledgement = ack-nhfb, remark = "Reprint. Originally published: Oxford: Clarendon Press, 1971. (The International series of monographs on physics).", subject = "Phase transformations (Statistical physics); Critical phenomena (Physics)", } @Book{Goldman:1988:QDH, author = "M. (Maurice) Goldman", title = "Quantum description of high-resolution {NMR} in liquids", volume = "15", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "xiv + 268", year = "1988", ISBN = "0-19-855639-X", ISBN-13 = "978-0-19-855639-8", LCCN = "QD96.N8 G65 1988", bibdate = "Wed Oct 5 09:10:32 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", price = "US\$70.00", series = "The International series of monographs on chemistry", URL = "http://www.loc.gov/catdir/enhancements/fy0639/88001668-d.html; http://www.loc.gov/catdir/enhancements/fy0639/88001668-t.html", acknowledgement = ack-nhfb, subject = "Nuclear magnetic resonance spectroscopy", } @Book{Malinowski:1989:FAC, author = "Edmund R. Malinowski and Darryl G. Howery", title = "Factor analysis in chemistry", publisher = pub-R-E-KRIEGER, address = pub-R-E-KRIEGER:adr, pages = "ix + 251", year = "1989", ISBN = "0-89464-343-6", ISBN-13 = "978-0-89464-343-9", LCCN = "QD39.3.F33 M35 1989", bibdate = "Mon Oct 3 15:11:30 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, remark = "Reprint. Originally published: New York: Wiley, 1980.", subject = "Chemistry; Statistical methods; Factor analysis", } @Book{Ohno:1989:QCL, editor = "K. Ohno and K. Morokuma and H. Hosoya", title = "Quantum chemistry literature data base: bibliography of ab initio calculations for 1988", publisher = "????", address = "????", year = "1989", LCCN = "????", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", series = "See: Journal of Molecular Structure. Theochem: V. 203, 1989. Special issue.", acknowledgement = ack-nhfb, } @Book{Hosoya:1990:QCL, editor = "H. Hosoya and others", title = "Quantum chemistry literature data base: Supplement 9: bibliography of ab initio calculations for 1989", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "276", year = "1990", LCCN = "????", bibdate = "Mon Oct 3 14:35:24 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", acknowledgement = ack-nhfb, remark = "Est \'egalement no sp\'ecial de: Theochem, 1990, vol. 70.", subject = "Chimie quantique; Bibliographie", } @Book{Davydov:1991:SMS, author = "A. S. (Aleksandr Sergeevich) Davydov", title = "Solitons in molecular systems", volume = "61", publisher = pub-KLUWER, address = pub-KLUWER:adr, edition = "Second", pages = "xiii + 413", year = "1991", ISBN = "0-7923-1029-2", ISBN-13 = "978-0-7923-1029-7", LCCN = "QC174.26.W28 D3813 1990", bibdate = "Mon Oct 3 15:58:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Mathematics and its applications (Soviet series)", acknowledgement = ack-nhfb, remark = "Translation by Eugene S. Kryachko of: Solitony v molekul{\"e}i{\'\i}arnykh sistemakh.", subject = "Solitons; Exciton theory; Molecules", } @Book{Malinowski:1991:FAC, author = "Edmund R. Malinowski", title = "Factor analysis in chemistry", publisher = pub-WILEY, address = pub-WILEY:adr, edition = "Second", pages = "xii + 350", year = "1991", ISBN = "0-471-53009-3", ISBN-13 = "978-0-471-53009-1", LCCN = "QD39.3.F33 M35 1991", bibdate = "Mon Oct 3 15:11:30 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", URL = "http://www.loc.gov/catdir/description/wiley034/90024193.htm; http://www.loc.gov/catdir/enhancements/fy0607/90024193-b.htm; http://www.loc.gov/catdir/toc/onix05/90024193.htm", acknowledgement = ack-nhfb, remark = "A Wiley-Interscience publication.", subject = "Chemistry; Statistical methods; Factor analysis", } @Book{Cheetham:1992:SSC, editor = "A. K. Cheetham and Peter Day", title = "Solid state chemistry: compounds", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "xii + 304", year = "1992", ISBN = "0-19-855166-5", ISBN-13 = "978-0-19-855166-9", LCCN = "QD478 .S6334 1991", bibdate = "Wed Oct 5 09:08:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Oxford science publications", URL = "http://www.loc.gov/catdir/enhancements/fy0605/91012173-d.html; http://www.loc.gov/catdir/enhancements/fy0605/91012173-t.html", acknowledgement = ack-nhfb, subject = "Solid state chemistry", } @Book{Pyykko:1993:RTA, author = "Pekka Pyykk{\"o}", title = "Relativistic theory of atoms and molecules {II}: a bibliography, 1986--1992", volume = "60", publisher = pub-SV, address = pub-SV:adr, pages = "viii + 479", year = "1993", ISBN = "3-540-57219-8 (Berlin), 0-387-57219-8 (New York)", ISBN-13 = "978-3-540-57219-0 (Berlin), 978-0-387-57219-2 (New York)", LCCN = "Z5524.A6 P99 1993", bibdate = "Mon Oct 3 16:38:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Lecture notes in chemistry", acknowledgement = ack-nhfb, subject = "Atomic theory; Bibliography; Molecular theory", } @Book{Craig:1998:MQE, author = "D. P. Craig and T. Thirunamachandran", title = "Molecular quantum electrodynamics: an introduction to radiation-molecule interactions", publisher = pub-DOVER, address = pub-DOVER:adr, pages = "ix + 324", year = "1998", ISBN = "0-486-40214-2 (paperback)", ISBN-13 = "978-0-486-40214-7 (paperback)", LCCN = "QC680 .C73 1998", bibdate = "Mon Oct 3 16:27:00 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", URL = "http://www.loc.gov/catdir/description/dover033/98012709.htm", acknowledgement = ack-nhfb, remark = "Originally published: London: Academic Press, 1984.", subject = "Quantum electrodynamics; Molecular dynamics; Chemistry, Physical and theoretical", } @Book{Pyykko:2000:RTA, author = "Pekka Pyykk{\"o}", title = "Relativistic theory of atoms and molecules {III}: a bibliography, 1993--1999", volume = "76", publisher = pub-SV, address = pub-SV:adr, pages = "x + 354", year = "2000", ISBN = "3-540-41398-7", ISBN-13 = "978-3-540-41398-1", LCCN = "Z5524.A6 P99 2000", bibdate = "Mon Oct 3 16:38:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Lecture notes in chemistry, 0342-4901", acknowledgement = ack-nhfb, subject = "Atomic theory; Bibliography; Molecular theory", } @Book{Malinowski:2002:FAC, author = "Edmund R. Malinowski", title = "Factor analysis in chemistry", publisher = pub-WILEY, address = pub-WILEY:adr, edition = "Third", pages = "xviii + 414", year = "2002", ISBN = "0-471-13479-1 (hardcover)", ISBN-13 = "978-0-471-13479-4 (hardcover)", LCCN = "QD39.3.F33 M35 2002", bibdate = "Mon Oct 3 15:11:30 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", URL = "http://www.loc.gov/catdir/bios/wiley043/2001046660.htm; http://www.loc.gov/catdir/description/wiley036/2001046660.htm; http://www.loc.gov/catdir/toc/wiley021/2001046660.htm", acknowledgement = ack-nhfb, subject = "Chemistry; Statistical methods; Factor analysis", } @Book{Altmann:2005:RQD, author = "Simon L. Altmann", title = "Rotations, quaternions, and double groups", publisher = pub-DOVER, address = pub-DOVER:adr, pages = "????", year = "2005", ISBN = "0-486-44518-6 (paperback)", ISBN-13 = "978-0-486-44518-2 (paperback)", LCCN = "QC174.17.R65 A48 2005", bibdate = "Wed Oct 5 08:57:17 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", URL = "http://www.loc.gov/catdir/enhancements/fy0625/2005049630-d.html", acknowledgement = ack-nhfb, remark = "Originally published: Oxford: Clarendon Press; New York: Oxford University Press, 1986.", subject = "Rotation groups; Quaternions; Finite groups; Representations of groups", } @Proceedings{Andre:1978:QTP, editor = "Jean-Marie Andr{\'e} and Joseph Delhalle and J{\'a}nos Ladik", booktitle = "{Quantum theory of polymers: proceedings of the NATO Advanced Study Institute on Electronic Structure and Properties of Polymers held at Namur, Belgium, 31 August--14 September 1977}", title = "{Quantum theory of polymers: proceedings of the NATO Advanced Study Institute on Electronic Structure and Properties of Polymers held at Namur, Belgium, 31 August--14 September 1977}", volume = "39", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "xi + 376", year = "1978", ISBN = "90-277-0870-3", ISBN-13 = "978-90-277-0870-0", LCCN = "QD380 .N36 1977", bibdate = "Mon Oct 3 15:24:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "NATO advanced study institutes series: Series C, Mathematical and physical sciences", acknowledgement = ack-nhfb, meetingname = "Nato Advanced Study Institute on Electronic Structure and Properties of Polymers, Facult\'es universitaires de Namur, 1977.", subject = "Polymers; Congresses; Quantum chemistry", } @Proceedings{Kelm:1978:HPC, editor = "H. Kelm", booktitle = "{High pressure chemistry: proceedings of the NATO Advanced Study Institute held in Corfu, Greece, September 24--October 8, 1977}", title = "{High pressure chemistry: proceedings of the NATO Advanced Study Institute held in Corfu, Greece, September 24--October 8, 1977}", volume = "41", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "vii + 600", year = "1978", ISBN = "90-277-0935-1", ISBN-13 = "978-90-277-0935-6", LCCN = "QD455 .H48", bibdate = "Mon Oct 3 15:53:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "NATO advanced study institutes series: Series C, Mathematical and physical sciences", acknowledgement = ack-nhfb, subject = "High pressure chemistry; Congresses", } @Proceedings{Donini:1979:RAG, editor = "John C. Donini", booktitle = "Recent advances in group theory and their application to spectroscopy: [proceedings]", title = "Recent advances in group theory and their application to spectroscopy: [proceedings]", volume = "43", publisher = pub-PLENUM, address = pub-PLENUM:adr, pages = "xii + 692", year = "1979", ISBN = "0-306-40172-X", ISBN-13 = "978-0-306-40172-5", LCCN = "QC450 .N37 1978", bibdate = "Mon Oct 3 17:56:16 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "NATO Advanced Study Institutes Series: Series B, Physics", acknowledgement = ack-nhfb, meetingname = "NATO Advanced Study Institute on Recent Advances in Group Theory and Their Application to Spectroscopy (1978: St. Francis Xavier University, Antigonish, NS)", subject = "Spectrum analysis; Congresses; Group theory", } @Proceedings{Nicolaides:1979:ESQ, editor = "Cleanthes A. Nicolaides and Donald R. Beck", booktitle = "{Excited states in quantum chemistry: theoretical and experimental aspects of the electronic structure and properties of the excited states in atoms, molecules and solids: proceedings of the NATO Advanced Study Institute held at Kos, Greece, June 4--18, 1978}", title = "{Excited states in quantum chemistry: theoretical and experimental aspects of the electronic structure and properties of the excited states in atoms, molecules and solids: proceedings of the NATO Advanced Study Institute held at Kos, Greece, June 4--18, 1978}", volume = "46", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "viii + 572", year = "1979", ISBN = "90-277-0961-0", ISBN-13 = "978-90-277-0961-5", LCCN = "QD461.5 .N36 1978", bibdate = "Mon Oct 3 14:50:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "NATO advanced study institutes series: Series C, Mathematical and physical sciences", acknowledgement = ack-nhfb, meetingname = "NATO Advanced Study Institute (1978: Kos, Greece)", subject = "Excited state chemistry; Congresses", } @Proceedings{Pullman:1979:CCB, editor = "Bernard Pullman", booktitle = "{Catalysis in chemistry and biochemistry: theory and experiment: proceedings of the Twelfth Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, April 2--4, 1979}", title = "{Catalysis in chemistry and biochemistry: theory and experiment: proceedings of the Twelfth Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, April 2--4, 1979}", volume = "12", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "vii + 390", year = "1979", ISBN = "90-277-1039-2", ISBN-13 = "978-90-277-1039-0", LCCN = "QD505 .J47 1979", bibdate = "Mon Oct 3 15:21:18 MDT 2011", bibsource = "fsz3950.oclc.org:210/WorldCat; https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib", series = "The Jerusalem symposia on quantum chemistry and biochemistry", acknowledgement = ack-nhfb, meetingname = "Jerusalem Symposium on Quantum Chemistry and Biochemistry (12th: 1979)", subject = "Catalysis; Congresses; Catalyse; Congr\`es", } @Proceedings{Pullman:1980:CFM, editor = "Bernard Pullman and Paul O. P. (Paul On Pong) Ts'o and Harry Victor Gelboin", booktitle = "{Carcinogenesis, fundamental mechanisms and environmental effects: proceedings of the thirteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry, held in Jerusalem, Israel, April 28--May 2, 1980}", title = "{Carcinogenesis, fundamental mechanisms and environmental effects: proceedings of the thirteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry, held in Jerusalem, Israel, April 28--May 2, 1980}", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "viii + 592", year = "1980", ISBN = "90-277-1171-2", ISBN-13 = "978-90-277-1171-7", LCCN = "RC268.5 .J47 1980", bibdate = "Mon Oct 3 15:56:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "The Jerusalem symposia on quantum chemistry and biochemistry; v. 13", acknowledgement = ack-nhfb, meetingname = "Jerusalem Symposium on Quantum Chemistry and Biochemistry, 13th, 1980.", subject = "Carcinogenesis; Congresses; Environmentally induced diseases; Carcinogens; Pharmacodynamics", } @Proceedings{Tometsko:1980:APP, editor = "Andrew M. Tometsko and Frederic Middlebrook Richards", booktitle = "{Applications of photochemistry in probing biological targets}", title = "{Applications of photochemistry in probing biological targets}", volume = "346", publisher = "New York Academy of Sciences", address = "New York, NY, USA", pages = "ix + 502", year = "1980", ISBN = "0-89766-080-3, 0-89766-081-1 (paperback)", ISBN-13 = "978-0-89766-080-8, 978-0-89766-081-5 (paperback)", LCCN = "Q11 .N5 vol. 346", bibdate = "Mon Oct 3 15:16:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Annals of the New York Academy of Sciences", acknowledgement = ack-nhfb, remark = "This series of papers is the result of a conference entitled Applications of photochemistry in probing biological targets, held by the New York Academy of Sciences from May 30 to June 1, 1979.", subject = "Photochemistry; Congresses; Biochemistry; Photobiology", } @Proceedings{Woolley:1980:QDM, editor = "R. G. Woolley", booktitle = "Quantum dynamics of molecules: the new experimental challenge to theorists", title = "Quantum dynamics of molecules: the new experimental challenge to theorists", volume = "57", publisher = pub-PLENUM, address = pub-PLENUM:adr, pages = "xiv + 557", year = "1980", ISBN = "0-306-40462-1", ISBN-13 = "978-0-306-40462-7", LCCN = "QD462.A1 N17 1979", bibdate = "Mon Oct 3 16:16:49 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "Nato advanced study institutes series: Series B, Physics", acknowledgement = ack-nhfb, meetingname = "NATO Advanced Study Institute on Quantum Dynamics of Molecules: the New Experimental Challenge to Theorists (1979: Trinity Hall)", remark = "Proceedings of the institute held at Trinity Hall, Cambridge, United Kingdom, September 15--29, 1979.", subject = "Quantum chemistry; Congresses; Molecular dynamics; Chemistry, Physical and theoretical", } @Proceedings{Weatherford:1982:EMM, editor = "Charles A. Weatherford and Herbert W. Jones", booktitle = "{ETO Multicenter Molecular Integrals: Proceedings of the International Conference held at Florida A\&M University, Tallahassee, Florida, USA, August 3--6, 1981}", title = "{ETO Multicenter Molecular Integrals: Proceedings of the International Conference held at Florida A\&M University, Tallahassee, Florida, USA, August 3--6, 1981}", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "xvi + 186", year = "1982", ISBN = "90-277-1488-6", ISBN-13 = "978-90-277-1488-6", LCCN = "QD461 E86 1982", bibdate = "Wed Oct 5 08:43:36 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.gbv.de:20011/gvk", URL = "http://www.gbv.de/dms/tib-ub-hannover/243261756.pdf", acknowledgement = ack-nhfb, subject = "Molecular orbitals; Congresses; Quantum chemistry", } @Proceedings{Bartlett:1985:CIQ, editor = "Rodney J. Bartlett", booktitle = "Comparison of ab initio quantum chemistry with experiment for small molecules: the state of the art", title = "Comparison of ab initio quantum chemistry with experiment for small molecules: the state of the art", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "ix + 513", year = "1985", ISBN = "90-277-2129-7", ISBN-13 = "978-90-277-2129-7", LCCN = "QD462.A1 C66 1985", bibdate = "Mon Oct 3 16:01:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, remark = "Proceedings of a symposium held at Philadelphia, Pennsylvania, 27--29 August, 1984.", subject = "Quantum chemistry; Congresses; Molecules", } @Proceedings{Clary:1986:TCR, editor = "D. C. Clary", booktitle = "The theory of chemical reaction dynamics", title = "The theory of chemical reaction dynamics", volume = "170", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "viii + 418", year = "1986", ISBN = "90-277-2202-1", ISBN-13 = "978-90-277-2202-7", LCCN = "QD501 .N355 1985", bibdate = "Mon Oct 3 16:02:04 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "NATO ASI series. Series C, Mathematical and physical sciences", acknowledgement = ack-nhfb, meetingname = "NATO Advanced Research Workshop on the Theory of Chemical Reaction Dynamics (1985: Orsay, France)", remark = "Proceedings of the NATO Advanced Research Workshop on the Theory of Chemical Reaction Dynamics, Orsay, France, June 17--30, 1985. Sponsored by the NATO Science Committee. Published in cooperation with NATO Scientific Affairs Division.", subject = "Chemical reaction, Conditions and laws of; Congresses", } @Proceedings{Jorgensen:1986:GDE, editor = "Poul J{\o}rgensen and Jack Simons", booktitle = "{Geometrical derivatives of energy surfaces and molecular properties}", title = "{Geometrical derivatives of energy surfaces and molecular properties}", volume = "166", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "ix + 341", year = "1986", ISBN = "90-277-2176-9", ISBN-13 = "978-90-277-2176-1", LCCN = "QD461.5 .N35 1985", bibdate = "Mon Oct 3 16:03:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "NATO ASI series. Series C, Mathematical and physical sciences", acknowledgement = ack-nhfb, meetingname = "NATO Advanced Research Workshop on Geometrical Derivatives of Energy Surfaces and Molecular Properties (1985: Sandbjerg, Denmark)", remark = "Proceedings of the NATO Advanced Research Workshop on Geometrical Derivatives of Energy Surfaces and Molecular Properties, Sandbjerg, Denmark, August 1--4, 1985. Published in cooperation with NATO Scientific Affairs Division.", subject = "Excited state chemistry; Mathematical models; Congresses; Molecular dynamics", } @Proceedings{Rentzepis:1986:ACR, editor = "Peter M. Rentzepis and Christos Capellos", booktitle = "Advances in chemical reaction dynamics", title = "Advances in chemical reaction dynamics", volume = "184", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "x + 612", year = "1986", ISBN = "90-277-2312-5", ISBN-13 = "978-90-277-2312-3", LCCN = "QD502 .N365 1985", bibdate = "Mon Oct 3 16:07:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib; z3950.loc.gov:7090/Voyager", series = "NATO ASI series. Series C, Mathematical and physical sciences", acknowledgement = ack-nhfb, meetingname = "NATO Advanced Study Institute on Advances in Chemical Reaction Dynamics (1985: Erakleion, Greece)", remark = "Proceedings of the NATO Advanced Study Institute on Advances in Chemical Reaction Dynamics, Iraklion, Crete, Greece, 25 August--7 September, 1985. Published in cooperation with NATO Scientific Affairs Division.", subject = "Chemical kinetics; Congresses; Chemical reaction, Conditions and laws of", }