%%% -*-BibTeX-*- %%% ==================================================================== %%% BibTeX-file{ %%% author = "Nelson H. F. Beebe", %%% version = "2.15", %%% date = "08 November 2023", %%% time = "10:46:34 MST", %%% filename = "ijqc1970.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 = "37175 50905 201807 1999748", %%% 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 %%% 1970--1979. 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/ %%% %%% but to follow the pointer to the %%% tables-of-contents requires an account with %%% the publisher. %%% %%% ############################################# %%% # 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 2.15, the COMPLETE year coverage %%% looked like this: %%% %%% 1968 ( 1) 1976 ( 187) 1984 ( 0) %%% 1969 ( 1) 1977 ( 309) 1985 ( 0) %%% 1970 ( 123) 1978 ( 252) 1986 ( 0) %%% 1971 ( 156) 1979 ( 291) 1987 ( 0) %%% 1972 ( 150) 1980 ( 0) 1988 ( 0) %%% 1973 ( 185) 1981 ( 0) 1989 ( 0) %%% 1974 ( 175) 1982 ( 0) 1990 ( 0) %%% 1975 ( 205) 1983 ( 0) 1991 ( 1) %%% %%% Article: 2010 %%% Book: 19 %%% Proceedings: 7 %%% %%% Total entries: 2036 %%% %%% 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"} @String{j-IJQC-BIO-SYMP = "International Journal of Quantum Chemistry. Quantum Biology Symposium: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology."} %%% ==================================================================== %%% 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-BUTTERWORTHS = "Butterworths"} @String{pub-BUTTERWORTHS:adr = "London, UK"} @String{pub-CLARENDON = "Clarendon Press"} @String{pub-CLARENDON:adr = "New York, NY, USA"} @String{pub-ELSEVIER = "Elsevier"} @String{pub-ELSEVIER:adr = "Amsterdam, 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-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{Goscinski:1968:CEP, author = "Osvaldo Goscinski and Yngve {\"O}hrn", title = "Coupling of Equivalent Particles in a Field of Given Symmetry", journal = j-IJQC, volume = "2", number = "6", pages = "845--856", month = nov, year = "1968", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560020610", ISSN = "0020-7608 (print), 1097-461X (electronic)", bibdate = "Sun Oct 2 10:08:10 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1960.bib; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See errata \cite{Goscinski:1973:ECE}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Wahl:1970:BNI, author = "A. C. Wahl and P. Bertoncini and K. Kaiser and R. Land", title = "{BISON}: a New Instrument for the Experimentalist", journal = j-IJQC, volume = "3S", number = "??", pages = "499--??", month = "??", year = "1970", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:29 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Thompson:1970:MSS, author = "J. Thompson and M. Povich and B. Musulin", title = "Molecular Screening and Spectroscopic Constants", journal = j-IJQC, volume = "3S", number = "??", pages = "513--??", month = "??", year = "1970", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:29 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Smith:1970:IAS, author = "D. W. Smith and E. G. Larson and R. C. Morrison", title = "On the Interpretative Aspects of Second-Order Reduced Density Matrices", journal = j-IJQC, volume = "3S", number = "??", pages = "689--??", month = "??", year = "1970", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:29 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Lowdin:1970:CLB, author = "P. O. L{\"o}wdin and T. K. Lim", title = "Calculation of Lower Bounds to Energy Eigenvalues by Reduced Density Matrices and the Representability Problem", journal = j-IJQC, volume = "3S", number = "??", pages = "697--??", month = "??", year = "1970", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:28 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Slater:1970:SCF, author = "J. C. Slater", title = "The Self-Consistent Field For Crystals", journal = j-IJQC, volume = "3S", number = "??", pages = "727--?? (or 158--??)", month = "??", year = "1970", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:28 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{White:1970:CPT, author = "Ronald J. White and D. E. Ramaker and David M. Schrader", title = "Comment on a perturbation treatment of the ground state of two-electron atoms using the coordinates $r_<$ and r$_>$", journal = j-IJQC, volume = "4", number = "1", pages = "1--3", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Hall:1970:MPM, author = "G. G. Hall and J. Hyslop and D. Rees", title = "A minimum principle for molecular systems allowing the use of discontinuous wave functions", journal = j-IJQC, volume = "4", number = "1", pages = "5--20", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Nakayama:1970:MCLa, author = "M. Nakayama and Y. J. I'Haya", title = "A multi-configuration {LCAO--MO} study for complex unsaturated molecules. {I}. {General} theory and its application to the benzene anion", journal = j-IJQC, volume = "4", number = "1", pages = "21--42", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Nakayama:1970:MCLb, author = "M. Nakayama and Y. J. I'Haya", title = "A multi-configuration {LCAO--MO} study for complex unsaturated molecules. {II}. {Application} to the benzene cation", journal = j-IJQC, volume = "4", number = "1", pages = "43--55", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Kruglyak:1970:SES, author = "Yuri A. Kruglyak and I. I. Ukrainsky", title = "Study of the electronic structure of alternant radicals by the {DODS} method", journal = j-IJQC, volume = "4", number = "1", pages = "57--72", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Kuprievich:1970:FCI, author = "V. A. Kuprievich and Yuri A. Kruglyak and E. V. Mozdor", title = "Full configuration interaction for the benzyl radical", journal = j-IJQC, volume = "4", number = "1", pages = "73--87", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Vladimiroff:1970:SSA, author = "T. Vladimiroff", title = "Small, simultaneous adjustments of orbital exponents in {LCAO--MO--SCF} calculations using self-consistent perturbation theory", journal = j-IJQC, volume = "4", number = "1", pages = "89--95", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Mukherjee:1970:MCS, author = "N. G. Mukherjee and R. McWeeny", title = "Multi-configuration {SCF} calculations on {LiH}", journal = j-IJQC, volume = "4", number = "1", pages = "97--107", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Men:1970:GTM, author = "A. N. Men and V. I. Cherepanov and D. S. Farberov and V. Ja. Mitrofanov and Gr. I. Chufarov", title = "Group-theoretical method for determining permitted terms of the electronic states of polyatomic molecules taking account of spin-orbit interaction", journal = j-IJQC, volume = "4", number = "1", pages = "109--119", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Aa, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "4", number = "1", pages = "121--121", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:BRa, author = "Anonymous", title = "Books received", journal = j-IJQC, volume = "4", number = "1", pages = "123--124", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "4", number = "1", pages = "fmi--fmii", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Karlsson:1970:SCPa, author = "G{\"o}ran Karlsson", title = "Self-consistent pseudo-eigenvalue equations in parametric charge-dependent {MO} methods", journal = j-IJQC, volume = "4", number = "2", pages = "127--138", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Mukherjee:1970:SCC, author = "P. K. Mukherjee and S. Sengupta and A. Mukherji", title = "Self-consistent calculation of excited {$^1$P} state wave functions of atoms", journal = j-IJQC, volume = "4", number = "2", pages = "139--147", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Ahlrichs:1970:KBW, author = "Reinhart Ahlrichs", title = "{Die Konvergenz der Brillouin--Wigner St{\"o}rungsrechnung}. ({German}) [{Convergence} of the {Brillouin--Wigner} perturbation calculation]", journal = j-IJQC, volume = "4", number = "2", pages = "149--172", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "German", onlinedate = "12 Oct 2004", } @Article{Harcourt:1970:VSI, author = "R. D. Harcourt", title = "Valence structures for {N$_2$O$_4$}. {III}", journal = j-IJQC, volume = "4", number = "2", pages = "173--189", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Klessinger:1970:SCG, author = "Martin Klessinger", title = "Self-consistent group calculations on polyatomic molecules {V}. {Molecules} with a double or triple bond", journal = j-IJQC, volume = "4", number = "2", pages = "191--202", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Hillier:1970:ICU, author = "I. H. Hillier and V. R. Saunders", title = "Ab initio calculations, using a small {Gaussian} basis set, of the electronic structure of the sulphate ion", journal = j-IJQC, volume = "4", number = "2", pages = "203--215", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Lindner:1970:LBE, author = "Peter Lindner", title = "Lower bounds for $\epsilon_2$ in the $1/z$-expansion for heliumlike ions", journal = j-IJQC, volume = "4", number = "2", pages = "217--218", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:BRb, author = "Anonymous", title = "Books received", journal = j-IJQC, volume = "4", number = "2", pages = "219--221", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "4", number = "2", pages = "fmi--fmii", month = mar, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:13 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Siu:1970:SGS, author = "Albert K. Q. Siu and Ernest R. Davidson", title = "A study of the ground state wave function of carbon monoxide", journal = j-IJQC, volume = "4", number = "3", pages = "223--243", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Marron:1970:SHF, author = "M. T. Marron and N. C. Handy and R. G. Parr and H. J. Silverstone", title = "Solution of the {Hartree--Fock} problem by expansion onto nested bases", journal = j-IJQC, volume = "4", number = "3", pages = "245--255", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Weltin:1970:BES, author = "E. Weltin", title = "Brackets to the eigenvalues of the {Schr{\"o}dinger} equation, part 1. {Tridiagonal} matrices", journal = j-IJQC, volume = "4", number = "3", pages = "257--270", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Polak:1970:OHO, author = "Rudolf Pol{\'a}k", title = "Optimum hybrid orbitals in localized orbitals", journal = j-IJQC, volume = "4", number = "3", pages = "271--287", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Karlsson:1970:HFM, author = "G{\"o}ran Karlsson", title = "{Hartree--Fock} {MO--LCAO} equations with charge-dependent atomic integrals", journal = j-IJQC, volume = "4", number = "3", pages = "289--295", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Levy:1970:MMS, author = "B. Levy", title = "Molecular {MC--SCF} calculations", journal = j-IJQC, volume = "4", number = "3", pages = "297--313", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Boring:1970:SCS, author = "A. Michael Boring", title = "Self-consistent spin-polarized energy bands of sodium", journal = j-IJQC, volume = "4", number = "3", pages = "315--332", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Jucys:1970:ILD, author = "A. P. Jucys and V. J. Stasiukaitis", title = "Inter-level differences in iron group atomic systems in the extended method of calculation", journal = j-IJQC, volume = "4", number = "3", pages = "333--335", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Claxton:1970:IUC, author = "T. A. Claxton", title = "Ab initio {UHF} calculations on the vinyl radical", journal = j-IJQC, volume = "4", number = "3", pages = "337--339", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Jucys:1970:TTS, author = "A. P. Jucys and A. A. Bandzaitis and J. J. Grudzinskas", title = "Theory of {Two Shells} of {Atomic Electrons Using Non-Orthogonal Radial Orbitals}", journal = j-IJQC, volume = "4", number = "3", pages = "341--341", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Karlsson:1970:SCPb, author = "G{\"o}ran Karlsson", title = "Self-consistent pseudo-eigenvalue equations in parametric charge-dependent {MO} methods", journal = j-IJQC, volume = "4", number = "3", pages = "341--342", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Fankhauser:1970:DCM, author = "Hans R. Fankhauser", title = "On the {Dynamics} of {Crystals} with {Molecular Impurity Centers}. {I}. {Compatibility Conditions}", journal = j-IJQC, volume = "4", number = "3", pages = "342--345", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "4", number = "3", pages = "fmi--fmii", month = may, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Ghosh:1970:TCS, author = "Kunal Ghosh and Subirnath Bhattacharyya and Purnendranath Sen", title = "Theoretical calculations on $\sigma$-systems, part 1: {Ethers} and chloro-substituted ethers", journal = j-IJQC, volume = "4", number = "4", pages = "347--353", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{VanLeuven:1970:GOA, author = "P. {Van Leuven}", title = "{Gaussian} overlap approximation in the projected {Hartree--Fock} method", journal = j-IJQC, volume = "4", number = "4", pages = "355--363", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Robb:1970:GSE, author = "M. A. Robb and I. G. Csizmadia", title = "The generalized separated electron pair model. 1. {An} application to {NH$_3$}", journal = j-IJQC, volume = "4", number = "4", pages = "365--387", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Boyle:1970:DNZ, author = "L. L. Boyle", title = "Determination of the non-zero components of property tensors in environments of low symmetry", journal = j-IJQC, volume = "4", number = "4", pages = "389--395", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Tallet:1970:CVC, author = "A. Tallet and M. Garcia-Sucre and Et. R. Lefebvre", title = "Le couplage vibronique dans une chaine lin{\'e}aire de molecules etudi{\'e} par une m{\'e}thode auto-coh{\'e}rente. ({French}) [{Vibronic} coupling in a linear chain of molecules studied by a self-consistent field method]", journal = j-IJQC, volume = "4", number = "4", pages = "397--411", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "12 Oct 2004", } @Article{Boyle:1970:FRM, author = "L. L. Boyle", title = "Fifth-rank molecular polarization tensors", journal = j-IJQC, volume = "4", number = "4", pages = "413--425", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Witkowski:1970:DCV, author = "Andrzej Witkowski and Marek Zgierski", title = "Decoupling conditions for the vibronic equation in dimers", journal = j-IJQC, volume = "4", number = "4", pages = "427--429", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Banyard:1970:MFE, author = "K. E. Banyard and C. C. Baker", title = "Molecular formation and electron correlation in {HeH$^+$}", journal = j-IJQC, volume = "4", number = "4", pages = "431--450", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Ab, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "4", number = "4", pages = "451--452", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "4", number = "4", pages = "fmi--fmii", month = jul, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Robinson:1970:EBD, author = "Peter D. Robinson and Saul T. Epstein", title = "On energy bounds derived from the conjugate eigenvalue problem", journal = j-IJQC, volume = "4", number = "5", pages = "453--463", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Moitra:1970:SDQ, author = "R. K. Moitra and P. K. Mukherjee and S. Sengupta", title = "A study of dynamic quadrupolar and octupolar excitations and calculations on excited $d$ and $f$ states of atom and ions: {He}-sequence", journal = j-IJQC, volume = "4", number = "5", pages = "465--486", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Franchini:1970:EGF, author = "P. F. Franchini and R. Moccia and M. Zandomeneghi", title = "Extended group function calculations for {H$_2$O}, {NH$_3$} and {CH$_4$}", journal = j-IJQC, volume = "4", number = "5", pages = "487--501", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Hillier:1970:NSP, author = "I. H. Hillier and V. R. Saunders", title = "A new {SCF} procedure and its applications to ab initio calculations of the states of the fluorosulphate radical", journal = j-IJQC, volume = "4", number = "5", pages = "503--518", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Singh:1970:CTP, author = "S. R. Singh and V. H. {Smith, Jr.}", title = "Comparison of two perturbation methods", journal = j-IJQC, volume = "4", number = "5", pages = "519--527", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Fratev:1970:WBP, author = "F. Fratev and R. Janoschek and H. Preuss", title = "{Wellenmechanische Behandlung der Protonisierung von F- und CH$_3$-monosubstituierten {\"A}thylenen}. ({German}) [{Wave}-mechanical treatment of the protonation of {F}- and {CH$_3$}-monosubstituted ethylene]", journal = j-IJQC, volume = "4", number = "5", pages = "529--532", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "German", onlinedate = "12 Oct 2004", } @Article{Ford:1970:MMS, author = "B. Ford and G. G. Hall and J. C. Packer", title = "Molecular modelling with spherical {Gaussians}", journal = j-IJQC, volume = "4", number = "5", pages = "533--539", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Ali:1970:TPO, author = "M. Asgar Ali and Richard J. S. Crossley", title = "Transition probability and oscillator strength by perturbation theory: $1s 3p$ {$^{1,3}$P} -- $1s 3d$ {$^{1,3}$D} transition in helium isoelectronic sequence", journal = j-IJQC, volume = "4", number = "5", pages = "541--543", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "4", number = "5", pages = "fmi--fmii", month = sep, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:14 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Goscinski:1970:SPT, author = "O. Goscinski and N. Stepanov", title = "Successive partitioning technique and {Feenberg} perturbation theory", journal = j-IJQC, volume = "4", number = "6", pages = "545--559", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Slater:1970:NSP, author = "John C. Slater", title = "Note on the space part of anti-symmetric wave functions in the many-electron problem", journal = j-IJQC, volume = "4", number = "6", pages = "561--570", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", xxtitle = "Note on the Space Part of Antisymmetric Wavefunctions", } @Article{Brandas:1970:CPS, author = "E. Br{\"a}ndas and O. Goscinski", title = "Critical Point, Singularities, and Extrapolations in the Helium Isoelectronic Sequence", journal = j-IJQC, volume = "4", number = "6", pages = "571--578", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Jain:1970:SSP, author = "D. C. Jain", title = "A Study of Some Potential Energy Functions For Diatomic Molecules", journal = j-IJQC, volume = "4", number = "6", pages = "579--586", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Jorgensen:1970:TDH, author = "Poul J{\o}rgensen and Jan Linderberg", title = "Time-dependent {Hartree--Fock} calculations in the {Pariser--Parr--Pople} model. {Applications} to aniline, azulene and pyridine", journal = j-IJQC, volume = "4", number = "6", pages = "587--602", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Gombas:1970:TTL, author = "P. Gomb{\'a}s and T. Szondy", title = "The theoretical treatment of the {Li$_2$}-molecule", journal = j-IJQC, volume = "4", number = "6", pages = "603--612", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Laughlin:1970:PGE, author = "C. Laughlin and A. T. Amos", title = "A perturbed generalized eigenvalue equation for the helium atom", journal = j-IJQC, volume = "4", number = "6", pages = "613--623", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Massa:1970:GMO, author = "L. J. Massa and S. Ehrenson and M. Wolfsberg", title = "{Gaussian} molecular orbital calculations of the barrier to internal rotation in the ethyl cation", journal = j-IJQC, volume = "4", number = "6", pages = "625--630", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Ac, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "4", number = "6", pages = "631--631", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Sutton:1970:MCM, author = "P. Sutton and P. Bertoncini and G. Das and T. L. Gilbert and Arnold C. Wahl and O. Sinano{\u{g}}lu", title = "Methods for correlating molecules and some optimized valence configuration results on the diatomic molecules {Li$_2$}, {Be$_2$}, {B$_2$C$_2$}, {N$_2$}, {F$_2$}; {BN}, {BeO}, {LiF}, {HeNe}; {CO} and {BF}", journal = j-IJQC, volume = "4", number = "6", pages = "633--635", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1970:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "4", number = "6", pages = "fmi--fmii", month = nov, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560040601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Sun Oct 2 10:08:15 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Edenman:1970:OAI, author = "Ragnar H. Edenman", title = "Opening address to the {International Symposium}", journal = j-IJQC, volume = "5", number = "S4", pages = "1--2", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1970:SET, author = "John C. Slater and John H. Wood", title = "Statistical exchange and the total energy of a crystal", journal = j-IJQC, volume = "5", number = "S4", pages = "3--34", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stoddart:1970:OBP, author = "J. C. Stoddart and A. M. Beattie and N. H. March", title = "One-body potentials including electron interactions, and electron densities in crystals", journal = j-IJQC, volume = "5", number = "S4", pages = "35--53", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Euwema:1970:REA, author = "R. N. Euwema and D. J. Stukel", title = "Relativistic exchange approximation study for {He}, {Ne}, {Ar}, {Kr} and {Xe}", journal = j-IJQC, volume = "5", number = "S4", pages = "55--75", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Collins:1970:VED, author = "T. C. Collins and R. N. Euwema and D. J. Stukel and G. G. Wepfer", title = "Valence electron density of states of {ZnSe} obtained from an energy dependent exchange approximation", journal = j-IJQC, volume = "5", number = "S4", pages = "77--85", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Larson:1970:DMA, author = "Everett G. Larson and Darwin W. Smith", title = "A density matrix analysis of {Slater}'s hyper-{Hartree--Fock} method", journal = j-IJQC, volume = "5", number = "S4", pages = "87--94", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{FroeseFischer:1970:CIS, author = "Charlotte {Froese Fischer}", title = "Configuration interaction in the spin-polarized {Hartree--Fock} approximation", journal = j-IJQC, volume = "5", number = "S4", pages = "95--102", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Jamieson:1970:TDH, author = "M. J. Jamieson", title = "{Time-Dependent Hartree--Fock} theory for atoms", journal = j-IJQC, volume = "5", number = "S4", pages = "103--115", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nesbet:1970:EPC, author = "R. K. Nesbet", title = "Electronic pair correlation in atoms and molecules", journal = j-IJQC, volume = "5", number = "S4", pages = "117--125", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sperber:1970:ECS, author = "Gunnar Sperber", title = "Electron correlation in {S} states of the helium atom", journal = j-IJQC, volume = "5", number = "S4", pages = "127--130", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Benesch:1970:NOM, author = "Robert Benesch and Vedene H. {Smith, Jr.}", title = "Natural orbitals in momentum space and correlated radial momentum distributions: {I}. {The} {$^1$S} ground state of {Li$^+$}", journal = j-IJQC, volume = "5", number = "S4", pages = "131--138", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1970:BMC, author = "Joyce J. Kaufman", title = "The building up of molecular correlation energies from the molecular correlation energies of their fragments", journal = j-IJQC, volume = "5", number = "S4", pages = "139--140", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Klein:1970:CSF, author = "D. J. Klein and R. D. Poshusta and B. R. Junker and F. A. Matsen", title = "Computation in the spin-free formulation of the polyelectronic problem", journal = j-IJQC, volume = "5", number = "S4", pages = "141--146", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Poshusta:1970:CDS, author = "R. D. Poshusta", title = "Comment: {Discussion} on small molecules, session {Al}", journal = j-IJQC, volume = "5", number = "S4", pages = "147--147", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Michels:1970:MOS, author = "H. H. Michels and F. E. Harris and J. B. Addison", title = "Molecular orbital studies of the stability of {CH$^+_5$} and {BH$_5$}", journal = j-IJQC, volume = "5", number = "S4", pages = "149--151", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Johnson:1970:GSW, author = "K. H. Johnson", title = "Generalized scattered-wave approach to molecular-orbital theory", journal = j-IJQC, volume = "5", number = "S4", pages = "153--164", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cantril:1970:SSC, author = "Jerry M. Cantril and Herbert A. Pohl", title = "Simplified {SCF} calculations for sigma-bonded systems {IV}: {Hydrogen} bonding among second row atoms", journal = j-IJQC, volume = "5", number = "S4", pages = "165--178", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Maeder:1970:AEC, author = "Fabienne Maeder and Philippe Millie and Gaston Berthier", title = "All-electron calculations of open-shell polyatomic molecules: {II}. {Construction} of quasi-localized molecular orbitals in vinyl and formaldiminoxyl radicals", journal = j-IJQC, volume = "5", number = "S4", pages = "179--186", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Millie:1970:NTB, author = "Philippe Millie and Lionel Praud and Josiane Serre", title = "The nature of the ``triple bond'' of 1,2-benzyne", journal = j-IJQC, volume = "5", number = "S4", pages = "187--193", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Trindle:1970:EBF, author = "Carl Trindle and Francis S. Collins", title = "Energy-based formalism for the mapping analysis of concerted reactions", journal = j-IJQC, volume = "5", number = "S4", pages = "195--204", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1970:MPA, author = "Joyce J. Kaufman", title = "{Mulliken} population analysis in {CNDO} and {INDO LCAO--MO--SCF} methods", journal = j-IJQC, volume = "5", number = "S4", pages = "205--208", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Wheelock:1970:SEM, author = "Kenneth S. Wheelock and Hans B. Jonassen and L. C. Cusachs", title = "Semi-empirical molecular orbital calculations: {The} neighbor atom potential term in the effective {Hamiltonian}", journal = j-IJQC, volume = "5", number = "S4", pages = "209--219", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Phillips:1970:UHF, author = "Donald H. Phillips and John C. Schug", title = "{Unrestricted Hartree--Fock} {SCF} calculations on some hypothetical molecules with triplet ground states", journal = j-IJQC, volume = "5", number = "S4", pages = "221--229", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lowdin:1970:SPI, author = "Per-Olov L{\"o}wdin", title = "Some properties of inner projections", journal = j-IJQC, volume = "5", number = "S4", pages = "231--237", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Barr:1970:SPT, author = "Tery L. Barr", title = "Several perturbation theory methods for accurate calculations on complex systems", journal = j-IJQC, volume = "5", number = "S4", pages = "239--250", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lindner:1970:GPE, author = "P. Lindner and O. Goscinski", title = "Generalized polarizabilities and energy expressions", journal = j-IJQC, volume = "5", number = "S4", pages = "251--255", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hirschfelder:1970:PEP, author = "Joseph O. Hirschfelder", title = "Primitive exchange perturbation theory, {IV}", journal = j-IJQC, volume = "5", number = "S4", pages = "257--269", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Klein:1970:SAP, author = "Douglas J. Klein", title = "Symmetry adapted perturbation theory for interatomic and intermolecular exchange interactions", journal = j-IJQC, volume = "5", number = "S4", pages = "271--283", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brandas:1970:RPT, author = "Erkki Br{\"a}ndas", title = "A remark on perturbation theory for intermolecular forces", journal = j-IJQC, volume = "5", number = "S4", pages = "285--287", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Tapia:1970:IMC, author = "O. Tapia and G. Bessis and Et. S. Brato{\v{z}}", title = "Interactions moleculaires {\`a} courte port{\'e}e dans le syst{\`e}me {H$_2$\dottedbond{}H$_2$}: {Leur} d{\'e}pendance de l'orientation et de la g{\'e}om{\'e}trie interne des deux partenaires. ({French}) [{Short}-distance molecular interactions in the {H$_2$\dottedbond{}H$_2$} system: their orientatiion dependence and the internal geometry of the two partners]", journal = j-IJQC, volume = "5", number = "S4", pages = "289--297", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", 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 = "18 Jun 2009", } @Article{Dutta:1970:MBA, author = "N. C. Dutta and C. M. Dutta and T. P. Das", title = "Many-body approach to the properties of interacting atoms: {II}", journal = j-IJQC, volume = "5", number = "S4", pages = "299--305", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1970:EBD, author = "J. Ladik", title = "Energy bands in {DNA}", journal = j-IJQC, volume = "5", number = "S4", pages = "307--317", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1970:MOC, author = "B. Pullman", title = "Molecular orbital calculations on the conformation of biomolecules", journal = j-IJQC, volume = "5", number = "S4", pages = "319--340", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rein:1970:REP, author = "Robert Rein", title = "Remarks on elementary processes in quantum biology", journal = j-IJQC, volume = "5", number = "S4", pages = "341--352", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gold:1970:SEP, author = "Harvey J. Gold", title = "Specific enhancement of proton tunneling: {A} possible factor in enzyme catalysis", journal = j-IJQC, volume = "5", number = "S4", pages = "353--354", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Coleman:1970:RRF, author = "A. J. Coleman", title = "Recent results on fermion {$N$}-representability", journal = j-IJQC, volume = "5", number = "S4", pages = "355--358", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Handler:1970:MTF, author = "George S. Handler", title = "$2$-matrices from {Thomas--Fermi} theory", journal = j-IJQC, volume = "5", number = "S4", pages = "359--361", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Harriman:1970:DMA, author = "John E. Harriman", title = "A density matrix approach to multiconfiguration calculations", journal = j-IJQC, volume = "5", number = "S4", pages = "363--370", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Silverstone:1970:AET, author = "Harris J. Silverstone and H. David Todd", title = "Analytical evaluation of three-center one-electron integrals of {$r^N Y^M_L(\theta,\varphi)$} with {Slater}-type atomic orbitals", journal = j-IJQC, volume = "5", number = "S4", pages = "371--383", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gruninger:1970:RAF, author = "John Gruninger", title = "Radial auxiliary functions for many electron integrals", journal = j-IJQC, volume = "5", number = "S4", pages = "385--389", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1970:IPS, author = "Joyce J. Kaufman and Ellen Kerman and Walter S. Koski", title = "Implications of photoelectron spectroscopic measurements for compounds which produce no parent ion: {Contribution} to the session on photoelectron spectroscopy", journal = j-IJQC, volume = "5", number = "S4", pages = "391--394", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050742", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bowden:1970:TIS, author = "C. M. Bowden and H. C. Meyer and P. L. Donoho", title = "Theory of the intrinsically strain broadened line shape for magnetic resonance absorption within the non-{Kramers} doublet of {Al$_2$O$_3$:Fe$^{2+}$}", journal = j-IJQC, volume = "5", number = "S4", pages = "395--406", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050743", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stanley:1970:DRT, author = "H. Eugene Stanley and M. Howard Lee", title = "Diagrammatic representation of the two-spin correlation function for the generalized {Heisenberg} model", journal = j-IJQC, volume = "5", number = "S4", pages = "407--418", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050744", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Connolly:1970:CBT, author = "John W. D. Connolly", title = "The comparison between theoretical and ``experimental'' band structures", journal = j-IJQC, volume = "5", number = "S4", pages = "419--424", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050745", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Callaway:1970:TBC, author = "J. Callaway and H. M. Zhang and T. E. Norwood and J. Langlinais", title = "Tight binding calculation of energy bands in nickel", journal = j-IJQC, volume = "5", number = "S4", pages = "425--429", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050746", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Berggren:1970:NFE, author = "K.-F. Berggren and P. Lindner", title = "A `nearly free electron' model for crystalline {MgH$_2$}", journal = j-IJQC, volume = "5", number = "S4", pages = "431--436", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050747", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Decicco:1970:CSX, author = "P. D. Decicco", title = "{Compton} scattering of {X}-rays from solids in the one-electron model", journal = j-IJQC, volume = "5", number = "S4", pages = "437--444", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050748", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davison:1970:RTL, author = "S. G. Davison and M. St{\k{e}}{\'s}licka", title = "Relativistic treatment of localized states. {A} review", journal = j-IJQC, volume = "5", number = "S4", pages = "445--453", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050749", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davison:1970:PST, author = "S. G. Davison and M. St{\k{e}}{\'s}licka", title = "Present status of {Tamm} states in surface reconstructed crystals", journal = j-IJQC, volume = "5", number = "S4", pages = "455--462", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050750", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Blokker:1970:AFG, author = "Esko Blokker and Stig Flodmark", title = "The arbitrary finite group and its irreducible representations", journal = j-IJQC, volume = "5", number = "S4", pages = "463--472", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050751", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hansen:1970:ATD, author = "Aage E. Hansen", title = "Alternative time-dependent {Hamiltonians} by infinitesimal transformations", journal = j-IJQC, volume = "5", number = "S4", pages = "473--478", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050752", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1970:M, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "S4", pages = "i--i", day = "19--24", month = jan, year = "1970", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Oct 5 18:17:06 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1971:SET, author = "J. C. Slater and J. H. Wood", title = "Statistical Exchange and the Total Energy of a Crystal", journal = j-IJQC, volume = "4", number = "??", pages = "3--??", month = "??", year = "1971", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:29 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Larson:1971:DMA, author = "E. G. Larson and D. W. Smith", title = "A Density Matrix Analysis of {Slater}'s Hyper-{Hartree--Fock} Method", journal = j-IJQC, volume = "4", number = "??", pages = "87--??", month = "??", year = "1971", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:28 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Nesbet:1971:EPC, author = "R. K. Nesbet", title = "Electronic Pair Correlation in Atoms and Molecules", journal = j-IJQC, volume = "4", number = "??", pages = "117--??", month = "??", year = "1971", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:28 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Lowdin:1971:SPI, author = "P. O. L{\"o}wdin", title = "Some Properties of Inner Projections", journal = j-IJQC, volume = "4", number = "??", pages = "231--237", month = "??", year = "1971", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:28 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Coleman:1971:RRF, author = "A. J. Coleman", title = "Recent Results on Fermion {$N$}-Representability", journal = j-IJQC, volume = "4", number = "??", pages = "355--??", month = "??", year = "1971", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:21 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Harriman:1971:DMA, author = "J. E. Harriman", title = "A Density Matrix Approach to Multiconfiguration Calculations", journal = j-IJQC, volume = "4", number = "??", pages = "363--??", month = "??", year = "1971", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:27 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Matsuoka:1971:GEM, author = "Osamu Matsuoka", title = "{Gaussian} expansion method for molecular integrals of molecular properties", journal = j-IJQC, volume = "5", number = "1", pages = "1--11", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Schurr:1971:TDQa, author = "J. M. Schurr", title = "Time-dependent quantum theory {I}. {An} absorber in an intense radiation field", journal = j-IJQC, volume = "5", number = "1", pages = "13--34", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Schurr:1971:TDQb, author = "J. M. Schurr", title = "Time-dependent quantum theory {II}. {Absorption} of light by dimers: {Quantum} theory and classical analogy", journal = j-IJQC, volume = "5", number = "1", pages = "35--65", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Andre:1971:CLW, author = "J. M. Andre and J. Delhalle and J. G. Fripiat and G. Leroy", title = "Computation of {LCAO} wave functions for ground states of polymers and solids", journal = j-IJQC, volume = "5", number = "1", pages = "67--84", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Piela:1971:PCE, author = "Lucjan Piela", title = "Perturbational calculation of the exchange forces in the two lowest states of the hydrogen molecule", journal = j-IJQC, volume = "5", number = "1", pages = "85--99", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Sundaram:1971:TSC, author = "K. Sundaram and William P. Purcell", title = "Theoretical study of a $1 \colon 1$ complex between quinone and hydroquinone", journal = j-IJQC, volume = "5", number = "1", pages = "101--110", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Duff:1971:CFL, author = "K. J. Duff", title = "A computational form for {L{\"o}wdin}'s alpha function", journal = j-IJQC, volume = "5", number = "1", pages = "111--113", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1971:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "5", number = "1", pages = "115--115", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1971:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "1", pages = "fmi--fmii", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:16:55 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Roby:1971:TEC, author = "Keith R. Roby", title = "On the theory of electron correlation in atoms and molecules: {Relation} between cluster expansion theory and the correlated wave functions method", journal = j-IJQC, volume = "5", number = "2", pages = "119--130", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Goscinski:1971:PAP, author = "O. Goscinski and E. Br{\"a}ndas", title = "{Pad{\'e}} Approximants to Physical Properties Via Inner Projections", journal = j-IJQC, volume = "5", number = "2", pages = "131--156", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Tanaka:1971:CIS, author = "Kiyoshi Tanaka and Fukashi Sasaki", title = "Configuration interaction study of {X}-ray and fast electron scattering factors for light atomic systems", journal = j-IJQC, volume = "5", number = "2", pages = "157--175", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Sperber:1971:ARDa, author = "Gunnar Sperber", title = "Analysis of reduced density matrices in the coordinate representation. {I}. {Definitions} and basic formulas", journal = j-IJQC, volume = "5", number = "2", pages = "177--187", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Sperber:1971:ARDb, author = "Gunnar Sperber", title = "Analysis of reduced density matrices in the coordinate representation. {II}. {The} structure of closed-shell atoms in the restricted {Hartree--Fock} approximation", journal = j-IJQC, volume = "5", number = "2", pages = "189--214", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Weinhold:1971:FBR, author = "F. Weinhold and P. S. C. Wang", title = "On a formula of {Braun} and {Rebane} for variational bounds to overlap", journal = j-IJQC, volume = "5", number = "2", pages = "215--220", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Schurr:1971:TDQd, author = "J. Michael Schurr", title = "Time-Dependent quantum theory. {IV}. {Effect} of lattice relaxation on the optical spectra", journal = j-IJQC, volume = "5", number = "2", pages = "221--234", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Laskowski:1971:TFO, author = "B. Laskowski and P. {Van Leuven}", title = "Theta-Function overlap approximation applied to the energy of cyclic polyenes", journal = j-IJQC, volume = "5", number = "2", pages = "235--238", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Anonymous:1971:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "2", pages = "fmi--fmii", month = mar, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:53 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "1 Sep 2004", } @Article{Schurr:1971:TDQc, author = "J. Michael Schurr", title = "Time-dependent quantum theory {III}. {Model} for vibrational relaxation in crystals", journal = j-IJQC, volume = "5", number = "3", pages = "239--263", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Sannigrahi:1971:ESE, author = "A. B. Sannigrahi", title = "Effect of semi-empirical parameters on the triplet energy levels and triplet--triplet transition in benzene", journal = j-IJQC, volume = "5", number = "3", pages = "265--272", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Claverie:1971:TIF, author = "Pierre Claverie", title = "Theory of intermolecular forces. {I}. {On} the inadequacy of the usual {Rayleigh--Schr{\"o}dinger} perturbation method for the treatment of intermolecular forces", journal = j-IJQC, volume = "5", number = "3", pages = "273--296", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Cantu:1971:OPT, author = "A. A. Cantu and A. Hart-Davis", title = "The optimum projection technique in many-electron treatments", journal = j-IJQC, volume = "5", number = "3", pages = "297--309", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Gaspar:1971:MEP, author = "R. G{\'a}sp{\'a}r", title = "Many-electron problems {III} scaling of the density distributions and the potential fields", journal = j-IJQC, volume = "5", number = "3", pages = "311--317", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Solomon:1971:OLC, author = "C. E. Solomon", title = "Optimized linear combinations of simple exponentials for atomic systems", journal = j-IJQC, volume = "5", number = "3", pages = "319--333", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Tatewaki:1971:EDB, author = "Hiroshi Tatewaki and Hirosiji Taketa and Fukashi Sasaki", title = "On the energy difference between the {$^1$P} and {$^3$P} states of the beryllium isoelectronic sequence", journal = j-IJQC, volume = "5", number = "3", pages = "335--357", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1971:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "3", pages = "fmi--fmii", month = may, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:54 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Cizek:1971:CPA, author = "J. {\v{C}}i{\v{z}}ek and J. Paldus", title = "Correlation problems in atomic and molecular systems {III}. {Rederivation} of the coupled-pair many-electron theory using the traditional quantum chemical methods", journal = j-IJQC, volume = "5", number = "4", pages = "359--379", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Boyle:1971:IIF, author = "L. L. Boyle and P. S. C. Matthews", title = "The isotropic invariants of fifth-rank {Cartesian} tensors", journal = j-IJQC, volume = "5", number = "4", pages = "381--386", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Woodward:1971:PGE, author = "M. R. Woodward and A. T. Amos and C. Laughlin", title = "A perturbed generalized eigenvalue equation for the helium atom. {II}", journal = j-IJQC, volume = "5", number = "4", pages = "387--394", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Ludena:1971:ECP, author = "E. V. Lude{\~n}a", title = "The electronic correlation problem and loge localization", journal = j-IJQC, volume = "5", number = "4", pages = "395--409", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Coulson:1971:TFW, author = "C. A. Coulson and B. M. Deb", title = "On the theoretical foundation of {Walsh}'s rules of molecular geometry in terms of the {Hellmann--Feynman} theorem", journal = j-IJQC, volume = "5", number = "4", pages = "411--434", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Malrieu:1971:HOCa, author = "J. P. Malrieu", title = "High orders corrections to the {van der Waals--London} forces. {I}. {A} model problem: {Two} interacting hydrogen molecules is the minimal basis set", journal = j-IJQC, volume = "5", number = "4", pages = "435--453", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Malrieu:1971:HOCb, author = "J. P. Malrieu", title = "High orders corrections to the {van der Waals--London} forces. {II}. {Interaction} of two molecules with isotropic polarizabilities", journal = j-IJQC, volume = "5", number = "4", pages = "455--467", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Chang:1971:MSR, author = "Tai Yup Chang", title = "On the {Mavroyannis--Stephen} relativistic long-range interaction energy term between optically active molecules", journal = j-IJQC, volume = "5", number = "4", pages = "469--473", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1971:Ab, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "5", number = "4", pages = "475--475", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Karlsson:1971:SCP, author = "G{\"o}ran Karlsson and Kenichi Fukui and Tokio Yamabe", title = "Self-consistent pseudo-eigenvalue equations in parametric charge-dependent {MO} methods", journal = j-IJQC, volume = "5", number = "4", pages = "477--478", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Fukui:1971:NTI, author = "Kenichi Fukui and Tokio Yamabe", title = "A note on the theory of interatomic long-range forces", journal = j-IJQC, volume = "5", number = "4", pages = "478--478", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1971:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "4", pages = "fmi--fmii", month = jul, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:55 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Harcourt:1971:IVF, author = "R. D. Harcourt", title = "Increased-valence formulae and the bonding of oxygen to haemoglobin", journal = j-IJQC, volume = "5", number = "5", pages = "479--495", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Bendazzoli:1971:SCM, author = "G. L. Bendazzoli and F. Bernardi and P. Palmieri", title = "Self consistent molecular orbital calculations on polyatomic molecules: {Gaussian} approximation for two-electron integrals", journal = j-IJQC, volume = "5", number = "5", pages = "497--503", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Silver:1971:PEM, author = "David M. Silver", title = "{Poisson} equation for molecular exchange, hybrid and {Coulomb} electron repulsion integrals", journal = j-IJQC, volume = "5", number = "5", pages = "505--512", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Gubanov:1971:EAS, author = "V. A. Gubanov and L. A. Pereliaeva and A. K. Chirkov and G. N. Yastchenko and R. O. Matevosian", title = "Electronic absorption spectra for free hydrazyl radicals, their ionic forms and initial hydrazines", journal = j-IJQC, volume = "5", number = "5", pages = "513--524", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Abdulnur:1971:BSO, author = "Suheil F. Abdulnur", title = "Bounds to second-order perturbation energies (particularly dispersion) for excited states", journal = j-IJQC, volume = "5", number = "5", pages = "525--537", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Kouba:1971:NOI, author = "Joseph E. Kouba and Yngve {\"O}hrn", title = "Natural orbital iterations for the ground state of nitric oxide", journal = j-IJQC, volume = "5", number = "5", pages = "539--548", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Meath:1971:ADR, author = "William J. Meath and Edwin A. Power", title = "Angular dependence of the retarded dispersion energy", journal = j-IJQC, volume = "5", number = "5", pages = "549--556", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Andre:1971:AEB, author = "Jean-Marie Andr{\'e} and Georges Leroy", title = "All-electrons band structure of {Polyene}", journal = j-IJQC, volume = "5", number = "5", pages = "557--563", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Hearn:1971:FDR, author = "Dwight D. Hearn", title = "Frequency distribution of radiation emitted from excited atomic systems", journal = j-IJQC, volume = "5", number = "5", pages = "565--574", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Umans:1971:MBP, author = "Robert S. Umans and Bernard Pullman", title = "The mechanism of binding of polycyclic aromatic hydrocarbons to nucleic acids: {A} theoretical investigation", journal = j-IJQC, volume = "5", number = "5", pages = "575--582", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Lyslo:1971:TIS, author = "Gudmund Lyslo and Kjell Aashamar and John Midtdal", title = "A theoretical investigation of the singly excited two-electron atomic states $1s 2s^3$ {S} and $1s 3s^3$ {S}", journal = j-IJQC, volume = "5", number = "5", pages = "583--598", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "12 Oct 2004", } @Article{Anonymous:1971:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "5", pages = "fmi--fmii", month = sep, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:56 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "12 Oct 2004", } @Article{Sureau:1971:OIP, author = "A. Sureau", title = "Origin of the irrational part contained in the angular numerical factors of matrix elements of the {Coulomb} operator", journal = j-IJQC, volume = "5", number = "6", pages = "599--603", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Robb:1971:GSE, author = "M. A. Robb and I. G. Csizmadia", title = "The generalized separated electron pair model. {II}. {An} application to {NH}, {NH$_3$}, {NH}, {NH$^{2-}$} and {N$^{3-}$}", journal = j-IJQC, volume = "5", number = "6", pages = "605--635", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1971:SCV, author = "P. K. Mukherjee and R. K. Moitra and A. Mukherji", title = "A self-consistent variation-perturbation theory for open shell atomic systems: {Calculation} of polarizabilities and shielding factors", journal = j-IJQC, volume = "5", number = "6", pages = "637--646", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1971:SCC, author = "P. K. Mukherjee and A. K. Bhattacharya and A. Mukherji", title = "Self-consistent calculation of excited {$^3$P} state wave functions of atoms", journal = j-IJQC, volume = "5", number = "6", pages = "647--655", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brailsford:1971:SPO, author = "D. F. Brailsford and G. G. Hall", title = "Symmetry Properties of One- and Two-Electron Molecular Integrals", journal = j-IJQC, volume = "5", number = "6", pages = "657--668", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaplan:1971:ICE, author = "I. G. Kaplan and O. B. Rodimova", title = "Ab initio calculation of electronic states of the ions {H$_4^+$} and {H$_5^+$}", journal = j-IJQC, volume = "5", number = "6", pages = "669--682", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1971:CDE, author = "Walter England", title = "Continuous degeneracy and energy-localization of molecular orbitals", journal = j-IJQC, volume = "5", number = "6", pages = "683--697", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Amos:1971:CSS, author = "A. T. Amos", title = "A comment on the super-secular-equation in a symmetry adapted basis", journal = j-IJQC, volume = "5", number = "6", pages = "699--702", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1971:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "6", pages = "fmi--fmii", month = nov, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:18:57 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Slater:1971:IPJ, author = "John C. Slater", title = "Introduction of {Professor J. H. Van Vleck, Sanibel Symposium, Monday, January 18, 1971}", journal = j-IJQC, volume = "5", number = "S5", pages = "1--2", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{VanVleck:1971:RFD, author = "John H. {Van Vleck}", title = "Reminiscences of the first decade of quantum mechanics", journal = j-IJQC, volume = "5", number = "S5", pages = "3--20", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sasaki:1971:ERE, author = "Fukashi Sasaki and Yasuyo Horino and Kimio Ohno", title = "The effect of removal of ``equivalence'' restrictions on the electronic energies of atoms", journal = j-IJQC, volume = "5", number = "S5", pages = "21--33", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Benesch:1971:EAX, author = "Robert Benesch and Vedene H. {Smith, Jr.}", title = "Exact and asymptotic {X}-ray intensity values from 20-parameter {Hylleraas}-type wave functions. {He} and {He}-like ions", journal = j-IJQC, volume = "5", number = "S5", pages = "35--45", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sahni:1971:CEV, author = "V. Sahni and J. B. Krieger", title = "Calculation of expectation values correct to second order applied to the ground state of the helium isoelectronic sequence", journal = j-IJQC, volume = "5", number = "S5", pages = "47--58", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Dutta:1971:DPM, author = "C. M. Dutta and N. C. Dutta", title = "Dipole properties of the metastable {2\,$^3$S} state of helium", journal = j-IJQC, volume = "5", number = "S5", pages = "59--66", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kijewski:1971:NCC, author = "L. J. Kijewski and J. K. Percus", title = "Numerical calculations for {C$^{2+}$} using reduced density matrices", journal = j-IJQC, volume = "5", number = "S5", pages = "67--69", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Miller:1971:ESA, author = "Kenneth J. Miller", title = "Electron scattering off atoms for excitations to valence and {Rydberg} states", journal = j-IJQC, volume = "5", number = "S5", pages = "71--81", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mulliken:1971:LES, author = "Robert S. Mulliken", title = "The lowest excited states of {BH}", journal = j-IJQC, volume = "5", number = "S5", pages = "83--94", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mulliken:1971:GSB, author = "Robert S. Mulliken", title = "The ground state of {BeH}", journal = j-IJQC, volume = "5", number = "S5", pages = "95--101", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Liu:1971:ESN, author = "H. P. D. Liu and G. Verhaegen", title = "Electronic states of {NH} and {OH$^+$}", journal = j-IJQC, volume = "5", number = "S5", pages = "103--118", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Huzinaga:1971:CVS, author = "S. Huzinaga and D. Mcwilliams and A. A. Cantu", title = "A comment on the {V} state of ethylene", journal = j-IJQC, volume = "5", number = "S5", pages = "119--121", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Liu:1971:PCL, author = "B. Liu", title = "Potential curve for linear symmetric {H$_3$}", journal = j-IJQC, volume = "5", number = "S5", pages = "123--131", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sabin:1971:CCS, author = "John R. Sabin", title = "A comment concerning {S\bond{}H\bond{}S} type hydrogen bonds", journal = j-IJQC, volume = "5", number = "S5", pages = "133--136", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bonacic:1971:CDH, author = "Vlasta Bona{\v{c}}i{\'c} and Jaroslav Kouteck{\'y}", title = "Convergence difficulties in the {Hartree--Fock} procedure for the {PPP} model of alternant hydrocarbons", journal = j-IJQC, volume = "5", number = "S5", pages = "137--142", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Christoffersen:1971:TMF, author = "Ralph E. Christoffersen and Lester L. Shipman and Gerald M. Macgiora", title = "Transferability of molecular fragments to large molecules", journal = j-IJQC, volume = "5", number = "S5", pages = "143--149", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bartlett:1971:GSR, author = "Rodney J. Bartlett and Erkki J. Br{\"a}ndas", title = "Geometric sumrule and the reduced partitioning procedure", journal = j-IJQC, volume = "5", number = "S5", pages = "151--159", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", abstract = "From the partitioning technique, a formulation has been developed that suggests certain linear combinations of functions in an $n$-particle space as being important contributors to the energy. Using these combinations allows a drastic reduction in the number of functions that are necessary to give the energy to a desired accuracy; a fact which has implications for full CI calculations. These features are illustrated by some results obtained from full CI studies on H$_2$ and HeH$^+$. In the examples studied, it is found that the first-order combination, which corresponds to a ``geometric'' approximation, gives about two-thirds of the energy that is obtainable from a given basis set. The geometric sumrule is shown to also have other useful properties.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ratner:1971:SPH, author = "Mark Ratner", title = "Single particle-hole approximation to two-particle {Green} function for ethylene", journal = j-IJQC, volume = "5", number = "S5", pages = "161--163", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Grein:1971:ASE, author = "Friedrich Grein", title = "All single excitations in multiconfigurational wave functions", journal = j-IJQC, volume = "5", number = "S5", pages = "165--167", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Abdulnur:1971:BEE, author = "Suheil F. Abdulnur", title = "Bounds to excitation energies of {H} in the presence of long range dispersion forces", journal = j-IJQC, volume = "5", number = "S5", pages = "169--174", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pople:1971:ESW, author = "J. A. Pople", title = "Electronic states and wave functions associated with orbital energy crossing", journal = j-IJQC, volume = "5", number = "S5", pages = "175--182", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Musher:1971:CRI, author = "Jeremy I. Musher and Jerome M. Schulman", title = "On the calculation of {Raman} intensities", journal = j-IJQC, volume = "5", number = "S5", pages = "183--190", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ham:1971:JTE, author = "Frank S. Ham", title = "The {Jahn--Teller} effect", journal = j-IJQC, volume = "5", number = "S5", pages = "191--199", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ortega-Campos:1971:LDS, author = "Jes{\'u}s Ortega-Campos and Isidro Romero-Medina and Evodio Lopez-Rojas and Leonel Torres-Hern{\'a}ndez and Harold V. Mcintosh", title = "Lattice dynamics with second neighbor interactions", journal = j-IJQC, volume = "5", number = "S5", pages = "201--225", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{IHaya:1971:SJT, author = "Y. J. I'Haya and M. Nakayama and T. Iwabuchi", title = "Static {Jahn--Teller} distortion in the tri-phenylene mono-negative ion", journal = j-IJQC, volume = "5", number = "S5", pages = "227--232", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pipano:1971:ICP, author = "A. Pipano and Joyce J. Kaufman", title = "Ab initio calculation of potential energy curves for the ion-molecule reaction {O$^+$ $+$ N$_2$ $\rightarrow$ NO$^+$ $+$ N}", journal = j-IJQC, volume = "5", number = "S5", pages = "233--234", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1971:NAL, author = "Joyce J. Kaufman and R. Predney", title = "Non-applicability for the {Li$^+$H$_2$} ion molecule system of an {INDO} potential energy surface or of the approximate monopole-transition moment long range force expressions", journal = j-IJQC, volume = "5", number = "S5", pages = "235--258", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weiner:1971:PMN, author = "J. H. Weiner and A. Askar", title = "Particle method for the numerical solution of the time-dependent {Schr{\"o}dinger} equation", journal = j-IJQC, volume = "5", number = "S5", pages = "259--259", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Robinson:1971:IFW, author = "G. Robinson and N. H. March and R. C. Perrin", title = "Interatomic forces over a wide range of nuclear separations", journal = j-IJQC, volume = "5", number = "S5", pages = "261--276", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stettler:1971:BSD, author = "John D. Stettler and Romas A. Shatas", title = "Bond stretch in diatomic vibrotors with {Fues} potential", journal = j-IJQC, volume = "5", number = "S5", pages = "277--284", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Harrison:1971:CZF, author = "James F. Harrison", title = "The calculation of the zero field splitting parameters in carbenes", journal = j-IJQC, volume = "5", number = "S5", pages = "285--293", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Menne:1971:PCH, author = "T. J. Menne", title = "Phonon contribution to the hyperfine coupling constant", journal = j-IJQC, volume = "5", number = "S5", pages = "295--299", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Maksic:1971:CJJ, author = "Z. B. Maksi{\'c}", title = "Calculations of {J$_{\rm C13-C13}$} and {J$_{\rm C13-H1}$} coupling constants in hydrocarbons by the maximum overlap method", journal = j-IJQC, volume = "5", number = "S5", pages = "301--306", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Corrington:1971:DMO, author = "Joyce H. Corrington and H. S. Aldrich and C. W. Mccurdy and L. C. Cusachs", title = "Dipole moments and orbital energies from {ARCANA}: {A} semi-empirical molecular orbital calculation program", journal = j-IJQC, volume = "5", number = "S5", pages = "307--316", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Billingsley:1971:OAO, author = "Frank P. {Billingsley II} and Carl Trindle", title = "Optimization of atomic orbital charges by least squares representation of the molecular charge distribution", journal = j-IJQC, volume = "5", number = "S5", pages = "317--327", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Trindle:1971:FSG, author = "Carl Trindle and Peter W. Lert", title = "Floating spherical {Gaussian} calculations on systems of protons and electrons", journal = j-IJQC, volume = "5", number = "S5", pages = "329--340", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Meyer:1971:IEW, author = "Wilfried Meyer", title = "Ionization energies of water from {PNO-CI} calculations", journal = j-IJQC, volume = "5", number = "S5", pages = "341--348", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mantione:1971:QMI, author = "M.-J. Mantione and B. Pullman", title = "A quantum mechanical investigation of the bathochromic shift in visual pigments", journal = j-IJQC, volume = "5", number = "S5", pages = "349--360", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{IHaya:1971:RQC, author = "Y. J. I'Haya and T. Nakamura and Y. Yagi and T. Sano and H. Ito", title = "Remark on quantum chemical interpretation of the induced optical activity of {DNA}-dye complexes", journal = j-IJQC, volume = "5", number = "S5", pages = "361--365", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Halevi:1971:PDB, author = "E. A. Halevi", title = "Polarization differences between isotopic molecules", journal = j-IJQC, volume = "5", number = "S5", pages = "367--370", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Martin:1971:DES, author = "T. W. Martin and L. L. {Swift, Jr.}", title = "Discovery and {ESR} spectra of matrix stabilized hydronium radicals {H$_3$O} and {D$_3$O}", journal = j-IJQC, volume = "5", number = "S5", pages = "371--371", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ballhausen:1971:CLF, author = "C. J. Ballhausen", title = "Crystal and ligand field theory", journal = j-IJQC, volume = "5", number = "S5", pages = "373--377", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Schaffer:1971:EOI, author = "Claus E. Sch{\"a}ffer", title = "Energy operators as idempotents in the angular overlap model of the ligand field", journal = j-IJQC, volume = "5", number = "S5", pages = "379--390", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Wachters:1971:CFS, author = "A. J. H. Wachters and W. C. Nieuwpoort", title = "Crystal field splitting and {Born} repulsion in {KNiF$_3$}. {Contribution} to the panel discussion on ligand field theory", journal = j-IJQC, volume = "5", number = "S5", pages = "391--396", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Wolf:1971:UPC, author = "W. P. Wolf", title = "On the use of parameters in crystal field theory and related calculations", journal = j-IJQC, volume = "5", number = "S5", pages = "397--401", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1971:TEA, author = "J. C. Slater", title = "Treatment of exchange in atomic, molecular, and solid-state theory", journal = j-IJQC, volume = "5", number = "S5", pages = "403--409", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lindgren:1971:SEA, author = "Ingvar Lindgren", title = "A statistical exchange approximation for localized electrons", journal = j-IJQC, volume = "5", number = "S5", pages = "411--420", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Singh:1971:PTH, author = "S. R. Singh and V. H. {Smith, Jr.}", title = "Perturbation treatment of the {Hartree--Fock--Slater} {(X$\alpha$)} equations for the three-electron ions", journal = j-IJQC, volume = "5", number = "S5", pages = "421--428", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Johnson:1971:SMO, author = "K. H. Johnson and F. C. {Smith, Jr.}", title = "{SCF} molecular-orbital studies of the sulphate ion by the scattered-wave model", journal = j-IJQC, volume = "5", number = "S5", pages = "429--441", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ellis:1971:EST, author = "D. E. Ellis and T. Parameswaran", title = "Electronic structure of {TiCl$_4$}", journal = j-IJQC, volume = "5", number = "S5", pages = "443--449", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Collins:1971:SCR, author = "T. C. Collins and G. G. Wepfer and R. N. Euwema", title = "Self-consistent relativistic orthogonalized plane-wave calculation of {ZnSe}", journal = j-IJQC, volume = "5", number = "S5", pages = "451--458", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Switendick:1971:MHS, author = "A. C. Switendick", title = "Metal hydrides --- structure and band structure", journal = j-IJQC, volume = "5", number = "S5", pages = "459--470", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Euwema:1971:RCC, author = "R. N. Euwema", title = "Rapid convergence of crystalline energy bands by use of a plane-wave-{Gaussian} mixed basis set", journal = j-IJQC, volume = "5", number = "S5", pages = "471--487", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Scofield:1971:ASE, author = "D. F. Scofield", title = "Aluminum {SCOPW} energy band dependence upon the local exchange approximation", journal = j-IJQC, volume = "5", number = "S5", pages = "489--495", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Shankland:1971:FTS, author = "D. G. Shankland", title = "{Fourier} transformation by smooth interpolation", journal = j-IJQC, volume = "5", number = "S5", pages = "497--500", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Painter:1971:ADV, author = "G. S. Painter", title = "Application of the discrete variational method to the electronic structure of {LiF}", journal = j-IJQC, volume = "5", number = "S5", pages = "501--513", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Papaconstantopoulos:1971:BSF, author = "Dimitrios A. Papaconstantopoulos and David J. Nagel", title = "Band structure and {Fermi} surfaces of ordered intermetallic compounds {TiFe}, {TiCo} and {TiNi}", journal = j-IJQC, volume = "5", number = "S5", pages = "515--526", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Harris:1971:EHF, author = "Frank E. Harris and Lalit Kumar and Hendrik J. Monkhorst", title = "``Exact'' {Hartree--Fock} results for atomic hydrogen crystals", journal = j-IJQC, volume = "5", number = "S5", pages = "527--531", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stocks:1971:ESS, author = "G. M. Stocks", title = "Electronic states in some disordered noble metal--transition metal alloys", journal = j-IJQC, volume = "5", number = "S5", pages = "533--541", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Faulkner:1971:ESD, author = "J. S. Faulkner", title = "Electronic states in disordered alloys: {Comparison} of methods", journal = j-IJQC, volume = "5", number = "S5", pages = "543--553", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bloembergen:1971:SNL, author = "N. Bloembergen and W. K. Burns and C. L. Tang", title = "Symmetry of non-linear optical susceptibilities in absorbing media and conservation of angular momentum", journal = j-IJQC, volume = "5", number = "S5", pages = "555--562", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Prohofsky:1971:SQM, author = "E. W. Prohofsky and R. C. Purdom", title = "Simple quantum mechanics and complicated ultrasonic attenuation", journal = j-IJQC, volume = "5", number = "S5", pages = "563--567", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Blokker:1971:CPS, author = "Esko Blokker and Stig Flodmark", title = "A computer program for symmetry adaptation of electronic states in crystals", journal = j-IJQC, volume = "5", number = "S5", pages = "569--578", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Boyle:1971:NAT, author = "L. L. Boyle and P. S. C. Matthews", title = "On the nature of axial tensors", journal = j-IJQC, volume = "5", number = "S5", pages = "579--590", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Borelius:1971:IPS, author = "Gudmund Borelius", title = "Internal pressure in solids", journal = j-IJQC, volume = "5", number = "S5", pages = "591--591", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hankey:1971:AFS, author = "Alex Hankey and H. Eugene Stanley", title = "An alternate formulation of the static scaling hypothesis", journal = j-IJQC, volume = "5", number = "S5", pages = "593--604", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Malli:1971:SSS, author = "Gulzari Malli and K. M. S. Saxena", title = "Spin-spin splitting factors for $f^6$ electron configurations", journal = j-IJQC, volume = "5", number = "S5", pages = "605--612", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Saxena:1971:SSS, author = "K. M. S. Saxena and Gulzari Malli", title = "Spin-spin splitting factors for $f^7$ electron configurations", journal = j-IJQC, volume = "5", number = "S5", pages = "613--618", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Saxena:1971:SOOa, author = "K. M. S. Saxena and Gulzari Malli", title = "Spin-other-orbit and spin-orbit splitting factors for $f^6$ electron configurations", journal = j-IJQC, volume = "5", number = "S5", pages = "619--630", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050871", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Saxena:1971:SOOb, author = "K. M. S. Saxena and Gulzari Malli", title = "Spin-other-orbit splitting factors for $f^7$ electron configurations", journal = j-IJQC, volume = "5", number = "S5", pages = "631--642", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050872", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Jankowski:1971:EEC, author = "K. Jankowski and Gulzari Malli and J. H. Maysilles", title = "Effect of electron correlation on the spin--spin interaction in many-electron atomic systems", journal = j-IJQC, volume = "5", number = "S5", pages = "643--652", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050873", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Foglio:1971:CDM, author = "Mario E. Foglio", title = "Concentration dependence of the macroscopic magnetic anisotropy and of the ferrimagnetic line width in the gallium substituted europium iron garnet", journal = j-IJQC, volume = "5", number = "S5", pages = "653--659", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050874", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Liu:1971:MDR, author = "N. L. Huang Liu", title = "Magnon dispersion relation in europium iron garnet", journal = j-IJQC, volume = "5", number = "S5", pages = "661--665", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050875", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Huber:1971:CDS, author = "D. L. Huber", title = "Critical dynamics of the staggered magnetization in uniaxial antiferromagnets", journal = j-IJQC, volume = "5", number = "S5", pages = "667--671", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050876", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bowden:1971:DIM, author = "Charles M. Bowden", title = "Dependence of the integrated magnetic resonance absorption on resonance frequency and crystal field perturbations for non-{Kramers} doublets", journal = j-IJQC, volume = "5", number = "S5", pages = "673--683", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050877", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lowdin:1971:SPT, author = "P.-O. L{\"o}wdin and O. Goscinski", title = "Studies in perturbation theory. {XIV}. {Treatment} of constants of motion, degeneracies and symmetry properties by means of multidimensional partitioning", journal = j-IJQC, volume = "5", number = "S5", pages = "685--705", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050878", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Laskowski:1971:POM, author = "B. Laskowski and P. {Van Leuven}", title = "Parametrization of the orbital mixing coefficients in the {AMO} method", journal = j-IJQC, volume = "5", number = "S5", pages = "707--714", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050879", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weltin:1971:BES, author = "E. Weltin", title = "Brackets to the eigenvalues of the {Schr{\"o}dinger} equation, {Part 2}. {Partial} tridiagonalization of bandmatrices", journal = j-IJQC, volume = "5", number = "S5", pages = "715--719", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050880", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weinhold:1971:RCU, author = "Frank Weinhold", title = "Remarks on the calculation of upper and lower limits to quantum-mechanical properties", journal = j-IJQC, volume = "5", number = "S5", pages = "721--728", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050881", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Larson:1971:PHC, author = "Everett G. Larson and Orville W. Day", title = "The particle-hole component of the 2-particle {Green} function --- its relation to the canonical particle-hole states and its {$N$}-representability", journal = j-IJQC, volume = "5", number = "S5", pages = "729--744", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050882", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stoddart:1971:LME, author = "J. C. Stoddart and N. H. March and D. Wiid", title = "Local moments, electron correlation and density functional theory", journal = j-IJQC, volume = "5", number = "S5", pages = "745--762", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050883", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Horing:1971:NPM, author = "Norman J. Morgenstern Horing", title = "Nondegenerate plasma modes in quantizing magnetic field", journal = j-IJQC, volume = "5", number = "S5", pages = "763--763", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050884", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Horing:1971:CLP, author = "Norman J. Morgenstern Horing and R. W. Danz and M. L. Glasser", title = "Coupled longitudinal phonon-plasmon spectrum in quantizing magnetic field", journal = j-IJQC, volume = "5", number = "S5", pages = "765--769", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050885", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matthias:1971:S, author = "Bernd T. Matthias", title = "Superconductivity in 1970", journal = j-IJQC, volume = "5", number = "S5", pages = "771--772", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050886", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gora:1971:FCF, author = "Edwin K. Gora", title = "On formulas in closed form for {Van Vleck} expansions", journal = j-IJQC, volume = "5", number = "S5", pages = "773--773", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050887", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Chen:1971:ETQ, author = "Tien Chi Chen", title = "Evaluation techniques for quantum mechanical integrals", journal = j-IJQC, volume = "5", number = "S5", pages = "775--775", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050888", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bulloff:1971:QRS, author = "Jack J. Bulloff", title = "Quantum reunification of the sciences", journal = j-IJQC, volume = "5", number = "S5", pages = "777--786", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050889", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lowdin:1971:I, author = "Per-Olov L{\"o}wdin", title = "Introduction", journal = j-IJQC, volume = "5", number = "S5", pages = "xv--xvi", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1971:M, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "5", number = "S5", pages = "fmi--fmi", day = "18--23", month = jan, year = "1971", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560050801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:13:07 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Beebe:1972:POT, author = "Nelson H. F. Beebe and Sten Lunell", title = "A Projection Operator Technique for Orbital Basis Variation", journal = j-IJQC, volume = "6", pages = "1149--1155", year = "1972", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 18:56:22 1996", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe.bib; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Locqueneux:1972:TQP, author = "R. Locqueneux", title = "Th{\'e}orie quantique des ph{\'e}nom{\`e}nes de bir{\'e}fringence {\'e}lectrique et magn{\'e}tique des mol{\'e}cules. ({French}) [{Quantum} theory of the phenomena of molecular electric and magnetic birefrigence]", journal = j-IJQC, volume = "6", number = "1", pages = "1--21", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Basilevsky:1972:IIR, author = "M. V. Basilevsky and M. M. Berenfeld", title = "Intermolecular interactions in the region of small overlap", journal = j-IJQC, volume = "6", number = "1", pages = "23--45", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:VES, author = "P. C. Mishra and D. K. Rai", title = "Variable electronegativity {SCF-MO} calculations on the electronic structure and spectra of some substituted benzenes {I}. {Monosubstitutions}", journal = j-IJQC, volume = "6", number = "1", pages = "47--55", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mathur:1972:MES, author = "S. C. Mathur and Jai Singh", title = "Molecular electronic structure of metal phthalocyanines", journal = j-IJQC, volume = "6", number = "1", pages = "57--81", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cherepanov:1972:GTM, author = "V. I. Cherepanov and A. A. Shchetkov and D. S. Farberov and A. N. Men", title = "Group-theoretical methods for determining permitted terms of the electronic states of polyatomic molecules and complexes in {MO} and {HL} schemes of calculation. {II}", journal = j-IJQC, volume = "6", number = "1", pages = "83--91", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Abarenkov:1972:CSF, author = "I. V. Abarenkov", title = "On the complete set of functions in the {Heitler--London} method for two-electron problem", journal = j-IJQC, volume = "6", number = "1", pages = "93--100", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roby:1972:TEC, author = "Keith R. Roby", title = "On the theory of electron correlation in atoms and molecules. {II}. {General} cluster expansion theory and the general correlated wave functions method", journal = j-IJQC, volume = "6", number = "1", pages = "101--123", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Amos:1972:CVP, author = "A. T. Amos", title = "A change of variable for the perturbation parameter in {Rayleigh--Schr{\"o}dinger} perturbation theory", journal = j-IJQC, volume = "6", number = "1", pages = "125--130", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Certain:1972:BPS, author = "P. R. Certain and W. Byers Brown", title = "Branch point singularities in the energy of the delta-function model of one-electron diatoms", journal = j-IJQC, volume = "6", number = "1", pages = "131--142", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vetchinkin:1972:GFS, author = "S. I. Vetchinkin and V. L. Bachrach", title = "The {Green}'s functions of the {Schr{\"o}dinger} equation for the simplest systems", journal = j-IJQC, volume = "6", number = "1", pages = "143--153", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Millie:1972:AEC, author = "Philippe Milli{\'e} and Bernard L{\'e}vy and Gaston Berthier", title = "All electron calculations of open-shell polyatomic molecules. {III}. {Perturbation} treatment of the spin polarization in vinyl and methyl radicals", journal = j-IJQC, volume = "6", number = "1", pages = "155--166", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Partridge:1972:BEM, author = "R. H. Partridge", title = "Bond exciton model of alkenes and diene polymers", journal = j-IJQC, volume = "6", number = "1", pages = "167--179", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Benesch:1972:DRE, author = "Robert Benesch", title = "On the determination of radial electron--electron distribution functions", journal = j-IJQC, volume = "6", number = "1", pages = "181--192", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:TFO, author = "B. Laskowski and P. {Van Leuven}", title = "Theta-function overlap approximation applied to the energy of cyclic polyenes", journal = j-IJQC, volume = "6", number = "1", pages = "193--196", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:Aa, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "6", number = "1", pages = "197--198", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "6", number = "1", pages = "fmi--fmii", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Singh:1972:LRI, author = "T. R. Singh and J. F. Bukta and W. J. Meath", title = "Long range interaction energies using {Gaussian} basis sets and a one center method", journal = j-IJQC, volume = "6", number = "2", pages = "201--209", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moitra:1972:SCC, author = "R. K. Moitra and P. K. Mukherjee", title = "Self consistent calculation of dynamic multipole polarizabilities and excited state wave functions of open shell ions: {Li} sequence", journal = j-IJQC, volume = "6", number = "2", pages = "211--224", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gilles:1972:ISG, author = "J.-M. F. Gilles and J. Philippot", title = "Internal symmetry groups of non-rigid molecules", journal = j-IJQC, volume = "6", number = "2", pages = "225--261", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Berlin:1972:NPM, author = "A. A. Berlin and G. A. Vinogradov and A. A. Ovchinnikov", title = "On the nature of paramagnetism in macromolecules with conjugated {C\bond{}C} bonds", journal = j-IJQC, volume = "6", number = "2", pages = "263--269", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Naqvi:1972:NCR, author = "K. Razi Naqvi and W. Byers Brown", title = "The non-crossing rule in molecular quantum mechanics", journal = j-IJQC, volume = "6", number = "2", pages = "271--279", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:SRC, author = "A. B. Sannigrahi", title = "Some remarks on the core resonance integral as used in the semi-empirical $\pi$-electron calculations", journal = j-IJQC, volume = "6", number = "2", pages = "281--287", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Corio:1972:RRG, author = "P. L. Corio", title = "On the representations of the rotation group", journal = j-IJQC, volume = "6", number = "2", pages = "289--296", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lin:1972:SEP, author = "Teng Ke Lin and Darrell D. Ebbing", title = "A separated-electron pair study of the electronic structure of the {Li$_2$O} molecule", journal = j-IJQC, volume = "6", number = "2", pages = "297--311", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boyle:1972:GTA, author = "L. L. Boyle", title = "The group theoretical approach to nuclear quadrupole resonance", journal = j-IJQC, volume = "6", number = "2", pages = "313--325", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuprievich:1972:MST, author = "V. A. Kuprievich and O. V. Shramko", title = "The {MC SCF} theory: {Method} of one-electron {Hamiltonian}", journal = j-IJQC, volume = "6", number = "2", pages = "327--336", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharya:1972:CHF, author = "A. K. Bhattacharya and S. Sengupta and A. Mukherji", title = "Coupled {Hartree--Fock} calculation of the electric dipole hyper-polarizabilities: {He} sequence", journal = j-IJQC, volume = "6", number = "2", pages = "337--345", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Salmon:1972:QER, author = "Lydia S. Salmon and Klaus Ruedenberg", title = "A quadrupolar expansion for $r_{12}^{-1}$", journal = j-IJQC, volume = "6", number = "2", pages = "347--352", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Salmons:1972:EFC, author = "Lydia S. Salmons and Klaus Ruedenberg", title = "An expansion for four-center integrals over {Slater}-type orbitals", journal = j-IJQC, volume = "6", number = "2", pages = "353--366", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Robb:1972:GSE, author = "M. A. Robb and I. G. Csizmadia", title = "The generalized separated electron pair model. {III}. {An} application to three localization schemes for {CO}", journal = j-IJQC, volume = "6", number = "2", pages = "367--382", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:SPT, author = "Charles E. Reid", title = "A simplified proof of a theorem about group representations", journal = j-IJQC, volume = "6", number = "2", pages = "383--386", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mitra:1972:EMH, author = "R. P. Mitra and K. L. Kapoor", title = "Effect of methyl and hydroxyl substituents on the $\pi$-electronic spectra and ionization potential of p-benzoquinone", journal = j-IJQC, volume = "6", number = "2", pages = "387--399", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "6", number = "2", pages = "fmi--fmii", month = mar, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Kari:1972:GWF, author = "R. E. Kari and I. G. Csizmadia", title = "{Gaussian} wave functions for {CH$_3$} and {NH}", journal = j-IJQC, volume = "6", number = "3", pages = "401--406", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Matzke:1972:CSE, author = "P. Matzke and O. Chacon and E. Sanhueza and M. Trsic", title = "Comparison of several expansions in the calculation of static electric dipole $\pi$ polarizability of conjugated molecules by perturbation theory. {The} ground and the first excited singlet states", journal = j-IJQC, volume = "6", number = "3", pages = "407--412", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:MOE, author = "E. Otto Steinborn and Klaus Ruedenberg", title = "Molecular one-electron integrals over {Slater}-type atomic orbitals and irregular solid spherical harmonics", journal = j-IJQC, volume = "6", number = "3", pages = "413--438", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:UEC, author = "Jack Simons", title = "The use of explicitly correlated, partially antisymmetric wave functions in atomic and molecular calculations", journal = j-IJQC, volume = "6", number = "3", pages = "439--448", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:VHJ, author = "W. J. Taylor and R. D. Levine", title = "On the validity of {Hamilton--Jacobi} mechanics in the mean in quantum mechanics", journal = j-IJQC, volume = "6", number = "3", pages = "449--453", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jucys:1972:GSU, author = "A. P. Jucys and J. J. Grudzinskas", title = "The general scheme of using non-orthogonal radial orbitals in a complex electronic configuration of the atom", journal = j-IJQC, volume = "6", number = "3", pages = "455--464", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jucys:1972:GTE, author = "A. P. Jucys and E. P. Na{\v{s}}l{\.e}nas and P. S. {\v{Z}}virblis", title = "The general theory of the extended method of calculation of atomic structures", journal = j-IJQC, volume = "6", number = "3", pages = "465--472", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ukrainsky:1972:ESL, author = "I. I. Ukrainsky", title = "Electronic structure of long cumulene chains", journal = j-IJQC, volume = "6", number = "3", pages = "473--489", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:VED, author = "Jan Alml{\"o}f and Olle M{\aa}rtensson", title = "The valence electron density distribution of hydrogen bonded systems in the iterative extended {H{\"u}ckel} approach. {III}. {The} pyrrole--pyridine system", journal = j-IJQC, volume = "6", number = "3", pages = "491--500", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:GRC, author = "A. Riera and W. J. Meath", title = "{Gaussian} representations of charge overlap effects in intermolecular forces", journal = j-IJQC, volume = "6", number = "3", pages = "501--508", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:OCC, author = "Walter England", title = "One-Center {Coulomb}, two-center hybrid, and two-center {Coulomb} integrals over {STP} functions", journal = j-IJQC, volume = "6", number = "3", pages = "509--518", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Clinton:1972:CCC, author = "W. L. Clinton and L. J. Massa", title = "The cusp condition: {Constraint} on the electron density matrix", journal = j-IJQC, volume = "6", number = "3", pages = "519--523", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:SES, author = "Enrico Clementi and Anne Routh", title = "Study of the electronic structure of molecules. {XV}. {Comments} on the molecular orbital valency state and on the molecular orbital energies", journal = j-IJQC, volume = "6", number = "3", pages = "525--539", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:SLH, author = "J. Katriel", title = "The spherical limit of {H}: a symmetry dilemma", journal = j-IJQC, volume = "6", number = "3", pages = "541--548", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Davison:1972:TET, author = "S. G. Davison and W. K. Tan", title = "Two-electron theory of non-interacting surface and impurity states", journal = j-IJQC, volume = "6", number = "3", pages = "549--554", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:SPT, author = "M. V. Basilevsky and M. M. Berenfeld", title = "{SCF} perturbation theory and intermolecular interactions", journal = j-IJQC, volume = "6", number = "3", pages = "555--574", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:PPC, author = "J. P. Daudey and S. Diner", title = "{PCILON}. Perturbative configuration interaction using localized orbitals and numerical integration. {I}. {Numerical} integration techniques for the calculation of {Hamiltonian} matrix elements between localized orbitals", journal = j-IJQC, volume = "6", number = "3", pages = "575--591", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:LRI, author = "Walter J. Deal", title = "The long-range interaction between two hydrogen atoms", journal = j-IJQC, volume = "6", number = "3", pages = "593--596", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Young:1972:NPM, author = "Ralph H. Young", title = "New proof of the minimum principle for excited states", journal = j-IJQC, volume = "6", number = "3", pages = "596--597", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060320", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hudson:1972:A, author = "R. L. Hudson", title = "Announcement", journal = j-IJQC, volume = "6", number = "3", pages = "599--599", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060321", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "6", number = "3", pages = "fmi--fmii", month = may, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Monkhorst:1972:ACF, author = "Hendrik J. Monkhorst and Frank E. Harris", title = "Accurate calculation of {Fourier} transform of two-center {Slater} orbital products", journal = j-IJQC, volume = "6", number = "4", pages = "601--607", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:GRS, author = "Ram{\'o}n Carb{\'o}", title = "Generalized {Rayleigh--Schr{\"o}dinger} perturbation theory", journal = j-IJQC, volume = "6", number = "4", pages = "609--611", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Farberov:1972:TBM, author = "D. S. Farberov and A. N. Men", title = "On the translation between {MO} and {HL} descriptions of co-ordination compounds", journal = j-IJQC, volume = "6", number = "4", pages = "613--616", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Billingsley:1972:ESP, author = "Frank P. {Billingsley II}", title = "An economic storage and processing method for two-electron integrals in {LCAO--MO} calculations", journal = j-IJQC, volume = "6", number = "4", pages = "617--623", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Labarre:1972:SEC, author = "J.-F. Labarre and C. Leibovici", title = "Structure {\'e}lectronique des complexes acide-base de {Lewis}. {I}. {Structure} {\'e}lectronique et conformation mol{\'e}culaire des mol{\'e}cules {F$_3$ P$\cdot$BH$_3$} et {F$_2$HP$\cdot$BH$_3$}. ({French}) [{Electronic} structure of {Lewis} acid-base complexes. {I}. {Electronic} structure and molecular conformation of the molecules {F$_3$P$\cdot$BH$_3$} and {F$_2$HP$\cdot$BH$_3$}]", journal = j-IJQC, volume = "6", number = "4", pages = "625--637", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Braun:1972:VBI, author = "P. A. Braun and T. K. Rebane", title = "Variational bounds for imaginary frequency polarizability and dispersion interaction constant", journal = j-IJQC, volume = "6", number = "4", pages = "639--646", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Burden:1972:EHF, author = "F. R. Burden", title = "An extended {Hartree--Fock} method using corresponding orbitals: {Application} to lithium hydride", journal = j-IJQC, volume = "6", number = "4", pages = "647--650", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:TSDa, author = "Thomas B. Garrett and Daniel Zeroka", title = "Theoretical studies of diamagnetic properties of the hydrogen molecule ion. {I}. {Approximate} variation-perturbation calculation", journal = j-IJQC, volume = "6", number = "4", pages = "651--661", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:TSDb, author = "Thomas B. Garrett and Daniel Zeroka", title = "Theoretical studies of diamagnetic properties of the hydrogen molecule ion {II}. {Effect} of varying internuclear separation", journal = j-IJQC, volume = "6", number = "4", pages = "663--668", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:CMQ, author = "James R. Rabinowitz and Robert Rein", title = "Calculation of molecular quadrupole moments and a demonstration of the importance of overlap densities in the theory of polyatomic molecules", journal = j-IJQC, volume = "6", number = "4", pages = "669--680", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gora:1972:FCF, author = "Edwin K. Gora", title = "On formulas in closed form for {Van Vleck} expansions", journal = j-IJQC, volume = "6", number = "4", pages = "681--700", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Petelin:1972:REF, author = "A. N. Petelin and A. A. Kiselev", title = "The {Renner} effect in four-atomic molecules", journal = j-IJQC, volume = "6", number = "4", pages = "701--716", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tung:1972:SPP, author = "Eleanor W. Tung and William A. Sanders", title = "Simple perturbation and perturbation-variation treatments of the $1s \sigma_g$ and $2p \sigma_u$ states of {H}", journal = j-IJQC, volume = "6", number = "4", pages = "717--723", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boyle:1972:SPG, author = "L. L. Boyle", title = "The symmetrized powers of group representations", journal = j-IJQC, volume = "6", number = "4", pages = "725--746", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mathur:1972:MOZ, author = "S. C. Mathur and Jai Singh", title = "Molecular orbitals of zinc phthalocyanine", journal = j-IJQC, volume = "6", number = "4", pages = "747--759", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:EPM, author = "G. A. Gallup", title = "The {$N$}-Electron Problem and Matrices Representing the Symmetric Groups", journal = j-IJQC, volume = "6", number = "4", pages = "761--778", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "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 = "761--777", } @Article{Naray-Szabo:1972:DHF, author = "G. N{\'a}ray-Szab{\'o}", title = "Decoupled {Hartree--Fock} methods. {I}. {Calculations} for atoms with orthogonalized orbitals", journal = j-IJQC, volume = "6", number = "4", pages = "779--785", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Duben:1972:ESC, author = "Anthony J. Duben", title = "Examination of the semi-classical theory of circular dichroism", journal = j-IJQC, volume = "6", number = "4", pages = "787--791", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060419", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:IHL, author = "C. E. Reid", title = "Intermediate {Hamiltonians} for the lithium atom", journal = j-IJQC, volume = "6", number = "4", pages = "793--795", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060420", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sperber:1972:CDM, author = "Gunnar R. Sperber", title = "The Computation of Density Matrix Values in Configuration Space", journal = j-IJQC, volume = "6", number = "4", pages = "795--797", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060421", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:Ab, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "6", number = "4", pages = "799--799", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060422", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "6", number = "4", pages = "fmi--fmii", month = jul, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Hosoya:1972:SRO, author = "Haruo Hosoya", title = "Studies on {Rydberg} orbitals. {IV}. {Basic} formulas for the one-electron perturbation calculation of molecular {Rydberg} excited states", journal = j-IJQC, volume = "6", number = "5", pages = "801--817", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nanda:1972:UHF, author = "D. N. Nanda and P. T. Narasimhan", title = "Unrestricted {Hartree--Fock} calculations of spin densities with orthogonalized atomic orbitals: {Proton} and {$^{13}$C} hyperfine splittings in some pi hydrocarbon radicals", journal = j-IJQC, volume = "6", number = "5", pages = "819--841", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Arnau:1972:EMS, author = "Catalina Arnau and Ram{\'o}n Carb{\'o} and Sigeru Huzinaga", title = "Eigenspace manipulation in {SCF} theory", journal = j-IJQC, volume = "6", number = "5", pages = "843--847", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bersuker:1972:QRA, author = "I. B. Bersuker and S. S. Budnikov and B. A. Leizerov", title = "Quasi-relativistic approximation in the {SCF-MO-LCAO} method", journal = j-IJQC, volume = "6", number = "5", pages = "849--858", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{VanDerLugt:1972:MOC, author = "W. Th. A. M. {Van Der Lugt}", title = "Molecular-orbital calculations on transition metal complexes, charge-transfer spectra and the sequence of metal and ligand orbitals", journal = j-IJQC, volume = "6", number = "5", pages = "859--880", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sperber:1972:ARD, author = "Gunnar Sperber", title = "Analysis of Reduced Density Matrices in the Coordinate Representation. {III}. Electron Density and Correlation in the Ground States of {H$_2$} and The {H$_6$} Ring System Within Some Approximations of the Simple {LCAO} Type", journal = j-IJQC, volume = "6", number = "5", pages = "881--898", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:VBC, author = "G. A. Gallup", title = "Valence-Bond Calculations and Matrix Elements Between Two Tableau Functions of Non-Orthogonal Orbitals", journal = j-IJQC, volume = "6", number = "5", pages = "899--910", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "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 = "899--909", } @Article{Woodward:1972:PGE, author = "M. R. Woodward", title = "A perturbed generalized eigenvalue equation for the hydrogen molecular ion", journal = j-IJQC, volume = "6", number = "5", pages = "911--917", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boyle:1972:ESI, author = "L. L. Boyle", title = "The electronic states of icosahedral molecules", journal = j-IJQC, volume = "6", number = "5", pages = "919--924", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blokker:1972:TCI, author = "Esko Blokker", title = "A theory for the construction of the irreducible representations of finite groups", journal = j-IJQC, volume = "6", number = "5", pages = "925--933", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:TCS, author = "Subirnath Bhattacharyya and Amiyansu Bhaumik", title = "Theoretical calculations on $\sigma$-systems. {III}. {Alkyl} halides and alkanes", journal = j-IJQC, volume = "6", number = "5", pages = "935--948", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ali:1972:FOC, author = "M. K. Ali and W. J. Meath", title = "A floating one centre perturbation treatment for {H}-like molecules", journal = j-IJQC, volume = "6", number = "5", pages = "949--966", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guest:1972:LOC, author = "M. F. Guest and I. H. Hillier", title = "Localized orbital calculations of the bonding in {SO}, {SO$_2$F$^2$}, {ClO$_3$F} and {SOCL$_2$}", journal = j-IJQC, volume = "6", number = "5", pages = "967--973", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Truhlar:1972:VME, author = "Donald G. Truhlar", title = "Vibrational matrix elements of the quadrupole moment functions of {H$_2$}, {N$_2$} and {CO}", journal = j-IJQC, volume = "6", number = "5", pages = "975--988", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sack:1972:AFM, author = "R. A. Sack", title = "An alternative formalism for the method of intermediate {Hamiltonians}", journal = j-IJQC, volume = "6", number = "5", pages = "989--999", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1972:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "6", number = "5", pages = "fmi--fmii", month = sep, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Beck:1972:CMC, author = "D. Beck and C. Nicolaides and W. Luken and O. Sinano{\u{g}}lu", title = "{CI} methods for the calculation of hyperfine structures, lifetimes, and molecular potential energy surfaces", journal = j-IJQC, volume = "6", number = "S6", pages = "1--7", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Scofield:1972:CEA, author = "D. F. Scofield and N. C. Dutta and C. M. Dutta", title = "The correlation energy of atomic fluorine", journal = j-IJQC, volume = "6", number = "S6", pages = "9--17", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Walker:1972:CED, author = "T. E. Walker and Hugh P. Kelly", title = "The correlation energy difference between {CH} and the carbon atom", journal = j-IJQC, volume = "6", number = "S6", pages = "19--24", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Desclaux:1972:RTO, author = "Jean-Paul Desclaux", title = "Relativistic treatment of outer electron orbitals", journal = j-IJQC, volume = "6", number = "S6", pages = "25--41", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Fricke:1972:WCO, author = "B. Fricke", title = "What can one learn with muons about atomic physics?", journal = j-IJQC, volume = "6", number = "S6", pages = "43--46", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gruninger:1972:HTF, author = "John Gruninger and Richard Bailo", title = "{Hulth{\'e}n} transform functions for the $2s$ orbitals of atoms", journal = j-IJQC, volume = "6", number = "S6", pages = "47--50", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Scherr:1972:SNE, author = "Charles W. Scherr", title = "A simple non-exponential function for use in atomic and molecular wave functions for use in atomic and molecular wave functions", journal = j-IJQC, volume = "6", number = "S6", pages = "51--58", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brandas:1972:DFP, author = "E. Br{\"a}ndas and O. Goscinski", title = "{Darboux} functions and power series expansions with examples from isoelectronic sequences", journal = j-IJQC, volume = "6", number = "S6", pages = "59--72", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kijewski:1972:TMC, author = "L. J. Kijewski", title = "Test of the $g$-matrix condition on the two-matrix satisfying the {Pauli} restriction", journal = j-IJQC, volume = "6", number = "S6", pages = "73--78", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Callaway:1972:CPE, author = "Joseph Callaway and John J. Matese", title = "Calculational procedure for electron-atom scattering at arbitrary energies", journal = j-IJQC, volume = "6", number = "S6", pages = "79--85", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nazaroff:1972:TAL, author = "George V. Nazaroff", title = "A theory of autoionization lifetimes", journal = j-IJQC, volume = "6", number = "S6", pages = "87--102", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sahni:1972:RAC, author = "V. Sahni and J. B. Krieger", title = "Results of an analytic calculation for the coherent atomic scattering factor for the ground state of the helium isoelectronic sequence", journal = j-IJQC, volume = "6", number = "S6", pages = "103--109", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mcguire:1972:CCI, author = "Paul Mcguire and David A. Micha", title = "Coupled-channel investigation of rotationally and vibrationally inelastic collisions between {He} and {H$_2$}", journal = j-IJQC, volume = "6", number = "S6", pages = "111--132", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bowden:1972:CSR, author = "Charles M. Bowden", title = "Coherent state representation for fermions", journal = j-IJQC, volume = "6", number = "S6", pages = "133--143", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Witriol:1972:CTM, author = "Norman M. Witriol", title = "Canonical transformations and molecular structure calculations", journal = j-IJQC, volume = "6", number = "S6", pages = "145--152", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sengupta:1972:GLS, author = "S. Sengupta and J. Paldus and J. {\v{C}}i{\v{z}}ek", title = "Geminal Localization in the {Separated-Pair Model} {II}. {Excited States} of the {$\Phi$}-Electronic Model of Benzene", journal = j-IJQC, volume = "6", number = "S6", pages = "153--169", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Koutecky:1972:DMH, author = "Jaroslav Kouteck{\'y} and Vlasta Bona{\v{c}}i{\'c}-Kouteck{\'y}", title = "Direct minimization of the {Hartree--Fock} energy for alternant open shell molecules in the {PPP} model", journal = j-IJQC, volume = "6", number = "S6", pages = "171--179", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Heaton:1972:CIC, author = "Marie M. Heaton and Aaron Pipano and Joyce J. Kaufman", title = "Configuration interaction calculations on {O$_3$} and {O$_3$}$^-$", journal = j-IJQC, volume = "6", number = "S6", pages = "181--186", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Shillady:1972:STH, author = "Donald D. Shillady and Carl Trindle", title = "The shapes of three hypervalent systems of first-row atoms {FH$_3$}, {H$_4$O}, and {F$_3$H}", journal = j-IJQC, volume = "6", number = "S6", pages = "187--200", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Connolly:1972:CMI, author = "John W. D. Connolly", title = "Calculation of molecular ionization potentials: {Comparison} of {MS X$\alpha$} and {ESCA}", journal = j-IJQC, volume = "6", number = "S6", pages = "201--208", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060621", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Danese:1972:MCU, author = "J. Bryan Danese", title = "Methane calculations using the multiple-scattering technique with {X$\alpha$} exchange", journal = j-IJQC, volume = "6", number = "S6", pages = "209--215", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060622", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Harrison:1972:AMC, author = "R. W. Harrison and L. C. Cusachs", title = "Alternate method of choosing $\alpha$ in {Herman--Skillman} {HFS} program", journal = j-IJQC, volume = "6", number = "S6", pages = "217--219", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060623", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cusachs:1972:IAO, author = "Louis Chopin Cusachs and Haven Scott Aldrich", title = "Invariant atomic orbitals by radial moment analysis of accurate molecular orbitals", journal = j-IJQC, volume = "6", number = "S6", pages = "221--229", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060624", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1972:EIF, author = "Joyce J. Kaufman and Robert Predney", title = "Extension of {INDO} formalism to $d$ orbitals and parameters for second-row atoms", journal = j-IJQC, volume = "6", number = "S6", pages = "231--242", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060625", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Johnson:1972:DES, author = "K. H. Johnson and U. Wahlgren", title = "Determination of the electronic structures of metal complexes by the {SCF--X$\alpha$} scattered-wave method", journal = j-IJQC, volume = "6", number = "S6", pages = "243--255", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060626", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Robin:1972:ESR, author = "M. B. Robin", title = "Experimental study of the {Rydberg} orbitals of large molecules", journal = j-IJQC, volume = "6", number = "S6", pages = "257--266", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060627", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Heller:1972:EDN, author = "Donald F. Heller and Karl F. Freed", title = "Energy dependence of nonradiative decay in polyatomic molecules", journal = j-IJQC, volume = "6", number = "S6", pages = "267--277", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060628", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Abu-Zeid:1972:SDP, author = "Mohyi-Eldin M. Abu-Zeid", title = "Solvent dependence of pyrene monomer and excimer fluorescence quenching by heavy atoms", journal = j-IJQC, volume = "6", number = "S6", pages = "279--293", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060629", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nir:1972:PC, author = "Shlomo Nir and Steve Adams and Robert Rein", title = "On polarizability calculations", journal = j-IJQC, volume = "6", number = "S6", pages = "295--300", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060630", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lindner:1972:EDS, author = "Peter Lindner and John R. Sabin", title = "Electron distribution in a short {$A$}-type hydrogen bond", journal = j-IJQC, volume = "6", number = "S6", pages = "301--304", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060631", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Flurry:1972:MOC, author = "R. L. {Flurry, Jr.} and D. L. Breen", title = "Molecular orbital calculations on biopolymers. {III}. {Conductivity} in nucleic-acid base homopolymers", journal = j-IJQC, volume = "6", number = "S6", pages = "305--310", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060632", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Downing:1972:PDE, author = "J. Downing and J. Michl", title = "Polarization directions of electronic transitions in large conjugated molecules of low symmetry", journal = j-IJQC, volume = "6", number = "S6", pages = "311--317", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060633", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1972:QCC, author = "Joyce J. Kaufman and Ellen Kerman", title = "Quantum chemical calculations on antipsychotic drugs and narcotic agents", journal = j-IJQC, volume = "6", number = "S6", pages = "319--335", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060634", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Perahia:1972:MOC, author = "D. Perahia and B. Pullman and P. Claverie", title = "Molecular orbital calculations on the conformation of polypeptides and proteins {X}. {The} conformational energy maps of the cysteinyl and methionyl residues", journal = j-IJQC, volume = "6", number = "S6", pages = "337--351", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060635", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rabinowitz:1972:TIT, author = "James R. Rabinowitz and T. J. Swissler and Robert Rein", title = "Towards an interaction theory for large molecules", journal = j-IJQC, volume = "6", number = "S6", pages = "353--361", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060636", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lindner:1972:ESS, author = "P. Lindner and O. M{\aa}rtensson", title = "Electronic structure of some odorant molecules of the benzaldehyde type", journal = j-IJQC, volume = "6", number = "S6", pages = "363--366", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060637", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Salhany:1972:IPS, author = "J. M. Salhany", title = "The influence of protons and salts on the reactivity of hemoglobin with oxygen", journal = j-IJQC, volume = "6", number = "S6", pages = "367--374", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060638", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1972:TCS, author = "Joyce J. Kaufman and Albert A. Manian", title = "Topological conformational similarities among antipsychotic drugs, narcotics and biogenic amines: a summary", journal = j-IJQC, volume = "6", number = "S6", pages = "375--381", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060639", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Grundke:1972:PDF, author = "E. W. Grundke and D. Henderson", title = "Pair distribution functions for hard-sphere mixtures", journal = j-IJQC, volume = "6", number = "S6", pages = "383--385", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060640", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davison:1972:EBD, author = "Sydney G. Davison", title = "Energy bands of diatomic crystals in the many-neighbor approximation", journal = j-IJQC, volume = "6", number = "S6", pages = "387--393", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060641", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Shaw:1972:PSI, author = "Jerry C. Shaw and J. B. Ketterson and L. R. Windmiller", title = "Phase shift inversion of {Fermi} surface data for some of the transition metals", journal = j-IJQC, volume = "6", number = "S6", pages = "395--402", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060642", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lipari:1972:FPE, author = "Nunzio O. Lipari", title = "First principle energy bands and optical properties of insulating crystals", journal = j-IJQC, volume = "6", number = "S6", pages = "403--410", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060643", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matsen:1972:MSF, author = "F. A. Matsen", title = "Magnetism and spin-free quantum chemistry", journal = j-IJQC, volume = "6", number = "S6", pages = "411--417", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060644", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Coulter:1972:SFI, author = "C. Alton Coulter and Romas A. Shatas", title = "A spectral function for an interacting electron-lattice system", journal = j-IJQC, volume = "6", number = "S6", pages = "419--427", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060645", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matthias:1972:S, author = "Bernd T. Matthias", title = "Superconductivity in 1971", journal = j-IJQC, volume = "6", number = "S6", pages = "429--429", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060646", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Callan:1972:AGS, author = "Edwin J. Callan", title = "Analytic ground state energies of two-electron atoms", journal = j-IJQC, volume = "6", number = "S6", pages = "431--434", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060647", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cizek:1972:DCE, author = "J. {\v{C}}i{\v{z}}ek and J. Paldus", title = "A direct calculation of the excitation energies of closed-shell systems using the {Green} function technique", journal = j-IJQC, volume = "6", number = "S6", pages = "435--438", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060648", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Beebe:1972:NSS, author = "Nelson H. F. Beebe", title = "A note on space spanning", journal = j-IJQC, volume = "6", number = "S6", pages = "439--441", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060649", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Adawi:1972:PES, author = "I. Adawi", title = "Perturbation expansion of the single-electron density matrix for the impurity problem", journal = j-IJQC, volume = "6", number = "S6", pages = "443--444", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060650", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Absar:1972:MCI, author = "Ilyas Absar", title = "Mutually consistent integrals for approximate {SCF--LCAO--MO} calculations", journal = j-IJQC, volume = "6", number = "S6", pages = "445--450", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060651", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Letcher:1972:ULO, author = "J. H. Letcher and I. Absar and J. R. {Van Wazer}", title = "Use of localized orbitals to circumvent convergence difficulties in {LCAO--MO--SCF} calculations", journal = j-IJQC, volume = "6", number = "S6", pages = "451--452", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060652", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Adawi:1972:SWO, author = "I. Adawi", title = "Scattering of waves in one dimension", journal = j-IJQC, volume = "6", number = "S6", pages = "453--454", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060653", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Flurry:1972:SSM, author = "R. L. {Flurry, Jr.}", title = "Site symmetry in molecular point groups", journal = j-IJQC, volume = "6", number = "S6", pages = "455--458", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060654", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Collins:1972:SED, author = "T. C. Collins and R. N. Euwema and A. B. Kunz", title = "A study of energy-dependent operators which simulate exchange-correlation operators", journal = j-IJQC, volume = "6", number = "S6", pages = "459--461", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060655", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1972:M, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "6", number = "S6", pages = "fmi--fmi", day = "17--22", month = jan, year = "1972", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560060601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 23:25:13 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stigter:1973:ERM, author = "Dirk Stigter and John A. Schellman", title = "Electrostatic representations of molecular groups", journal = j-IJQC, volume = "7", number = "1", pages = "1--13", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:GIG, author = "G. G. Hall", title = "Gauge invariant {Gaussian} orbitals and the ab initio calculation of diamagnetic susceptibility for molecules", journal = j-IJQC, volume = "7", number = "1", pages = "15--25", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kapoor:1973:SPA, author = "K. L. Kapoor", title = "The site of protonation in amino-substituted pteridines", journal = j-IJQC, volume = "7", number = "1", pages = "27--34", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:DOC, author = "G{\"o}ran Karlsson and Michael C. Zerner", title = "Determination of one-centre core integrals from the average energies of atomic configurations", journal = j-IJQC, volume = "7", number = "1", pages = "35--49", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Afzal:1973:FSG, author = "M. Afzal and A. A. Frost", title = "A floating spherical {Gaussian} orbital model of molecular structure. {XII}. {Analysis} of energy terms affecting the geometry of the water molecule", journal = j-IJQC, volume = "7", number = "1", pages = "51--62", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chalasinski:1973:ECE, author = "G. Cha{\l}asi{\'n}ski and B. Jeziorski", title = "Exact calculation of exchange polarization energy for {H} ion", journal = j-IJQC, volume = "7", number = "1", pages = "63--73", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Elder:1973:UMS, author = "M. Elder", title = "Use of Molecular Symmetry in {SCF} Calculations", journal = j-IJQC, volume = "7", number = "1", pages = "75--85", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Laidlaw:1973:SCS, author = "W. G. Laidlaw", title = "Stability conditions for the solutions of the {Hartree--Fock} equations. {VII}. {Stability} of some closed-shell nonalternant systems", journal = j-IJQC, volume = "7", number = "1", pages = "87--108", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Marinelli:1973:TOM, author = "Francis Marinelli", title = "Theorie des orbitals mol{\'e}culaires: recherche d'une base {STO} homog{\`e}ne pour les atomes alcalins et leur s{\'e}rie iso{\'e}lectronique. ({French}) [{Molecular} orbital theory: search for a homogeneous {STO} basis for the alkali atoms and their isoelectronic series]", journal = j-IJQC, volume = "7", number = "1", pages = "109--125", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Schmidtke:1973:TOS, author = "Hans-Herbert Schmidtke", title = "{{\"U}ber die Topologie und Orbitalstruktur Symmetrischer Molek{\"u}le}. ({German}) [{On} the topology and orbital structure of symmetric molecules]", journal = j-IJQC, volume = "7", number = "1", pages = "127--130", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "German", onlinedate = "19 Oct 2004", } @Article{Jette:1973:CME, author = "A. Norman Jette", title = "A convenient method for evaluating two center integrals", journal = j-IJQC, volume = "7", number = "1", pages = "131--132", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:PAP, author = "O. Goscinski and E. Br{\"a}ndas and B. Laskowski and P. {Van Leuven} and W. Th. A. M. {Van Der Lugt}", title = "Pad{\'e} approximants to physical properties via inner projections", journal = j-IJQC, volume = "7", number = "1", pages = "133--134", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "7", number = "1", pages = "135--135", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "7", number = "1", pages = "fmi--fmii", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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:1973:O, author = "Per-Olov L{\"o}wdin", title = "Obituary", journal = j-IJQC, volume = "7", number = "1", pages = "i--i", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gouyet:1973:CAN, author = "J. F. Gouyet", title = "Le champ autocoherent non hermitien. ({French}) [{The} non-{Hermitian} self consistent field]", journal = j-IJQC, volume = "7", number = "2", pages = "139--153", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Lombardi:1973:EMB, author = "E. Lombardi and R. Ritter and L. Jansen", title = "Effect of many-body interactions on the stability of rare-gas halides", journal = j-IJQC, volume = "7", number = "2", pages = "155--171", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:ESP, author = "Toshitaka Terasaka and Youko Nedachi", title = "Equation for the screened potential", journal = j-IJQC, volume = "7", number = "2", pages = "173--186", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:PGF, author = "E. L. Mehler", title = "Product of group-function expansions for correlated wave functions", journal = j-IJQC, volume = "7", number = "2", pages = "187--193", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blaisten-Barojas:1973:AGF, author = "E. Blaisten-Barojas and M. Allavena", title = "An application of {Green}'s functions to the study of the vibration-translation coupling of trapped oscillators in a linear chain", journal = j-IJQC, volume = "7", number = "2", pages = "195--213", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kumari:1973:SDD, author = "Usha Kumari and N. K. Ray", title = "Spin density distributions in some fluorinated radical cations", journal = j-IJQC, volume = "7", number = "2", pages = "215--222", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:OEP, author = "G. L. Bendazzoli and M. Dixon and P. Palmieri", title = "One-electron properties from approximate {LCAO--SCF} wave functions", journal = j-IJQC, volume = "7", number = "2", pages = "223--232", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SOM, author = "Ante Graovac and Hendrik J. Monkhorst and Tomislav Zivkovic", title = "{Slater} Orbital Molecular Integrals with Numerical {Fourier} Transform Methods. {I}. (Coplanar) Multicenter Exchange Integrals over 1s Orbitals", journal = j-IJQC, volume = "7", number = "2", pages = "233--251", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ellzey:1973:SAM, author = "M. L. {Ellzey, Jr.}", title = "Sequence-adapted molecular tensors: {Algebraic} methods and application to crystal field theory", journal = j-IJQC, volume = "7", number = "2", pages = "253--284", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moseley:1973:IQC, author = "W. D. {Moseley, Jr.}", title = "Integrals of quantum chemical interest in bases of {Laguerre} functions. {I}. {Functions} of order $2 l + 2$", journal = j-IJQC, volume = "7", number = "2", pages = "285--300", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Palting:1973:STU, author = "Pancracio Palting and William A. Sanders", title = "Simple test of the utility of modified {Hartree--Fock} orbitals: {The He} atom", journal = j-IJQC, volume = "7", number = "2", pages = "301--307", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Edmiston:1973:DBA, author = "Clyde Edmiston and Peter Lindner", title = "On the dimerization of {BH$_3$} and the associated delocalization (resonance) energy", journal = j-IJQC, volume = "7", number = "2", pages = "309--318", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carbonell:1973:TPT, author = "R. G. Carbonell and M. D. Kostin", title = "Tunneling phenomena in three-dimensional double-well potentials", journal = j-IJQC, volume = "7", number = "2", pages = "319--332", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beretta:1973:DPT, author = "E. Beretta and F. Vetrano", title = "A double perturbation theory for molecular complexes", journal = j-IJQC, volume = "7", number = "2", pages = "333--344", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Burrows:1973:BHF, author = "B. L. Burrows", title = "Bounds for {Hartree--Fock} perturbation theory", journal = j-IJQC, volume = "7", number = "2", pages = "345--355", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bouscasse:1973:TOE, author = "L. Bouscasse and R. Phan-Tan-Luu and E. J. Vincent and Et. J. Metzger", title = "Technique d'optimisation de l'{\'e}nergie {SCF} en fonction des exposants de {Slater}. ({French}) [{Optimization} technique for the {SCF} energy as a function of {Slater} exponents]", journal = j-IJQC, volume = "7", number = "2", pages = "357--364", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Matsuoka:1973:MIR, author = "Osamu Matsuoka", title = "Molecular integrals of relativistic effects with {Gaussian}-type orbitals", journal = j-IJQC, volume = "7", number = "2", pages = "365--381", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boyle:1973:IIT, author = "L. L. Boyle and Z. O{\.z}go", title = "Icosahedral irreducible tensors and their applications", journal = j-IJQC, volume = "7", number = "2", pages = "383--404", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070219", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adnan:1973:CMC, author = "Syed Sajjad Zaheer Adnan and Sadhan Basu", title = "{Cotton--Mouton} constant of benzene calculated by free electron wave functions", journal = j-IJQC, volume = "7", number = "2", pages = "405--406", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070220", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DaRAndrade:1973:MOA, author = "P. {Da R. Andrade} and A. Holz", title = "Molecular orbital admixture coefficient by {Raman} scattering", journal = j-IJQC, volume = "7", number = "2", pages = "407--409", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070221", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "7", number = "2", pages = "fmi--fmii", month = mar, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Salmon:1973:CCS, author = "Lydia S. Salmon", title = "Convergence of the completely separated bipolar expansion of $r_{12}^{-1}$", journal = j-IJQC, volume = "7", number = "3", pages = "411--424", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SDS, author = "M. M. Mestechkin", title = "Some developments in the spin-extended {Hartree--Fock} method", journal = j-IJQC, volume = "7", number = "3", pages = "425--457", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:DME, author = "R. Kari and B. T. Sutcliffe", title = "Direct minimization of the energy functional in {LCAO--MO} calculations", journal = j-IJQC, volume = "7", number = "3", pages = "459--473", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tel:1973:CQC, author = "Luis M. Tel and Saul Wolfe and Imre G. Csizmadia", title = "A comparative quantum chemical study of ethylcarbonium ion and hydroxymethylcarbonium ion", journal = j-IJQC, volume = "7", number = "3", pages = "475--490", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bhattacharya:1973:CHF, author = "A. K. Bhattacharya and P. K. Mukherjee", title = "Coupled {Hartree--Fock} calculation of the uniform field quadrupole polarizabilities and shielding factors of {S}-state ions", journal = j-IJQC, volume = "7", number = "3", pages = "491--499", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SAM, author = "Jean-Louis Calais and Gunnar Sperber", title = "A study of the {AMO} method as applied to the lithium metal. {I}. {Review}, results, and discussion", journal = j-IJQC, volume = "7", number = "3", pages = "501--520", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sperber:1973:SAMa, author = "Gunnar Sperber and Jean-Louis Calais", title = "A study of the {AMO} method as applied to the lithium metal. {II}. {The} first-order density matrix and the shape of the {Fermi} surface", journal = j-IJQC, volume = "7", number = "3", pages = "521--536", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sperber:1973:SAMb, author = "Gunnar Sperber", title = "A study of the {AMO} method as applied to the lithium metal. {III}. {A} method for calculating the total electronic energy of crystals in the {LCAO} approximation", journal = j-IJQC, volume = "7", number = "3", pages = "537--546", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:CME, author = "S. Suhai and J. Ladik", title = "{CNDO/2} and {MINDO/2} energy band structures of some homopolynucleotides", journal = j-IJQC, volume = "7", number = "3", pages = "547--560", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Scofield:1973:NLO, author = "D. F. Scofield", title = "A note on {L{\"o}wdin} orthogonalization and the square root of a positive self-adjoint matrix", journal = j-IJQC, volume = "7", number = "3", pages = "561--568", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", abstract = "A quadratically convergent process using a continued fraction method for finding the square root of the overlap matrix used in L{\"o}wdin orthogonalization is presented. The continued fraction method is compared to several other methods for finding the square root of a matrix. The method is found to be more efficient than the other methods when high accuracy is desired.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:DHF, author = "G. N{\'a}ray-Szab{\'o}", title = "Decoupled {Hartree--Fock} methods. {II}. {Calculation} of the potential curves of diatomic molecules", journal = j-IJQC, volume = "7", number = "3", pages = "569--581", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SPE, author = "I. Mayer and J. Ladik and G. Bicz{\'o}", title = "Spin projected extended {Hartree--Fock} equations", journal = j-IJQC, volume = "7", number = "3", pages = "583--608", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ha:1973:PPP, author = "Tae-Kyu Ha and Chester T. O'Konski", title = "Properties of pyridine and pyrazine from ab initio molecular orbital wave functions", journal = j-IJQC, volume = "7", number = "3", pages = "609--622", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:MGF, author = "A. Go{\l}{\k{e}}biewski and J. Mrozek", title = "Modified {Gaussian} functions and their use in quantum chemistry. {I}. {Integrals}", journal = j-IJQC, volume = "7", number = "3", pages = "623--634", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:E, author = "Thomas B. Garrett and Daniel Zeroka and Paul McGuire and David A. Micha", title = "Errata", journal = j-IJQC, volume = "7", number = "3", pages = "635--636", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Ab, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "7", number = "3", pages = "637--637", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "7", number = "3", pages = "fmi--fmii", month = may, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Lyast:1973:ALE, author = "I. Ts. Lyast and A. Ya. Biktimirov", title = "Application of {Local Energy Method} to the {Estimation} of the {Correlation} in {Geminals}", journal = j-IJQC, volume = "7", number = "4", pages = "641--646", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Seitz:1973:CHS, author = "W. A. Seitz and D. J. Klein", title = "Computations on {Heisenberg Spin Models}", journal = j-IJQC, volume = "7", number = "4", pages = "647--665", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lindner:1973:NFE, author = "P. Lindner and K-F. Berggren", title = "A nearly free electron model for the dihydrides of the {Alkaline-Earth} metals", journal = j-IJQC, volume = "7", number = "4", pages = "667--674", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Majorino:1973:AMP, author = "G. F. Majorino and C. Rubino", title = "On the accuracy of the many-points local procedures", journal = j-IJQC, volume = "7", number = "4", pages = "675--686", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:HPP, author = "Yves G. Smeyers and L. Doreste-Suarez", title = "Half-Projected and {Projected Hartree--Fock Calculations} for {Singlet Ground States}. i. four-{Electron Atomic Systems}", journal = j-IJQC, volume = "7", number = "4", pages = "687--698", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saunders:1973:LSM, author = "V. R. Saunders and I. H. Hillier", title = "A {``Level--Shifting''} method for converging closed shell {Hartree--Fock} wave functions", journal = j-IJQC, volume = "7", number = "4", pages = "699--705", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:CMC, author = "Earl C. {Cook, Jr.} and Darrell Ebbing", title = "Core model calculation of the electric field gradient: {Projection} operator formalism with application to {NH$_3$}", journal = j-IJQC, volume = "7", number = "4", pages = "707--715", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Palting:1973:DDP, author = "Pancracio Palting", title = "Direct determination of pseudonatural orbitals", journal = j-IJQC, volume = "7", number = "4", pages = "717--723", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mortola:1973:ISP, author = "Albert P. Mortola and Harold Basch and Jules W. Moskowitz", title = "An {Ab Initio} study of the permanganate ion", journal = j-IJQC, volume = "7", number = "4", pages = "725--737", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Men:1973:GTM, author = "B. A. Men and V. L. Cherepanov and A. N. Men", title = "Group theoretical methods for determining permitted terms of the electronic states of complexes in crystals. {III}. {The} use of plethysm for classification of the permitted terms of impurity complexes in crystal", journal = j-IJQC, volume = "7", number = "4", pages = "739--743", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chalasinski:1973:MSE, author = "G. Cha{\l}asi{\'n}ski and B. Jeziorski", title = "Multipole structure of exchange polarization energy for {H$_2^+$ Ion}", journal = j-IJQC, volume = "7", number = "4", pages = "745--757", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:ICS, author = "Stephen R. Langhoff and Ernest R. Davidson", title = "An {Ab Initio} calculation of the spin dipole-dipole parameters for methylene", journal = j-IJQC, volume = "7", number = "4", pages = "759--777", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moccia:1973:TDV, author = "R. Moccia", title = "Time-dependent variational principle", journal = j-IJQC, volume = "7", number = "4", pages = "779--783", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pyykko:1973:HLR, author = "P. Pyykk{\"o} and E. Pajanne and Mitio Inokuti", title = "Hydrogen-like relativistic corrections for electric and magnetic hyperfine integrals", journal = j-IJQC, volume = "7", number = "4", pages = "785--806", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Truhlar:1973:ACI, author = "Donald G. Truhlar", title = "Application of the configuration-interaction method and the random phase approximation to the {Ab Initio} calculation of electronic excitation energies of {H$_2$O}", journal = j-IJQC, volume = "7", number = "4", pages = "807--817", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Llaguno:1973:MOS, author = "Claro T. Llaguno and Shiv K. Gupta and Stuart M. Rothstein", title = "Molecular orbital studies on small molecules using {H$_2^+$}-type elliptical basis orbitals. {Application} to {H$_2^+$}, {H$_2$}, {He$_2^{++}$} and {H$_3^+$}", journal = j-IJQC, volume = "7", number = "4", pages = "819--834", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "7", number = "4", pages = "fmi--fmii", month = jul, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Morrison:1973:PSM, author = "Robert C. Morrison and Darwin W. Smith and Everett G. Larson", title = "Partitioning schemes for the 2-matrix and the pair density", journal = j-IJQC, volume = "7", number = "5", pages = "837--852", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:RRD, author = "Everett G. Larson", title = "Representable reference density matrices induced by information theory", journal = j-IJQC, volume = "7", number = "5", pages = "853--867", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gianinetti:1973:OMO, author = "Ermanno Gianinetti", title = "Optimization of molecular orbitals: {Easy} parametrizations of little rotations suitable for functional iteration", journal = j-IJQC, volume = "7", number = "5", pages = "869--876", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:LRD, author = "Walter J. Deal and Ralph H. Young", title = "Long-range dispersion interactions involving excited atoms: {The H(1s)--H(2s)} interaction", journal = j-IJQC, volume = "7", number = "5", pages = "877--892", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:IVB, author = "Gian Franco Tantardini and Mario Raimondi and Massimo Simonetta", title = "Ab initio valence bond calculations. {I}. {Methylene}", journal = j-IJQC, volume = "7", number = "5", pages = "893--903", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wahlgren:1973:MSS, author = "Ulf Wahlgren and Bj{\"o}rn Roos and Erik Forslind", title = "A {MO--SCF} study of hydroxyl binding and hydroxyl diffusion in pure and fluorine-containing hydroxyapatite", journal = j-IJQC, volume = "7", number = "5", pages = "905--925", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bunge:1973:SES, author = "Carlos F. Bunge and Annik Bunge", title = "Symmetry eigenfunctions suitable for many-electron theories and calculations. {I}. {Mainly} atoms", journal = j-IJQC, volume = "7", number = "5", pages = "927--944", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Benard:1973:DOM, author = "Marc Benard and Andr{\'e} Julg", title = "{D}{\'e}termination des orbitales mol{\'e}culaires par minimisation directe de l'{\'e}nergie de l'{\'e}tat fondamental et des {\'e}tats excit{\'e}s des mol{\'e}cules. ({French}) [{Determination} of molecular orbitals by direct minimization of the ground state and excited state energies of molecules]", journal = j-IJQC, volume = "7", number = "5", pages = "945--950", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Johnson:1973:GOO, author = "J. W. Johnson and R. D. Poshusta", title = "{Gaussian} orbitals optimized for lower bounds of hydrogenic atoms", journal = j-IJQC, volume = "7", number = "5", pages = "951--958", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:NSO, author = "A. Riera and William J. Meath", title = "Nondiagonal second order intermolecular forces for interactions involving molecules", journal = j-IJQC, volume = "7", number = "5", pages = "959--970", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tatewaki:1973:EEI, author = "Hiroshi Tatewaki", title = "Effect of the exchange integral {$K_{2s2p}$} on the $2p$-orbitals of the $^1${P} and $^3${P} states of the beryllium isoelectronic sequence arising from the configuration $(1s)^2(2s)(2p)$", journal = j-IJQC, volume = "7", number = "5", pages = "971--984", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Labzowsky:1973:CMS, author = "L. N. Labzowsky and Yu. E. Lozovik", title = "Conjugated molecules in strong magnetic fields", journal = j-IJQC, volume = "7", number = "5", pages = "985--989", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krizan:1973:IBM, author = "John E. Krizan and Brian F. Lloyd", title = "Interactions between molecules in the neighborhood of a long linear molecule", journal = j-IJQC, volume = "7", number = "5", pages = "991--998", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:CIS, author = "Stephen R. Langhoff and Stephen T. Elbert and Ernest R. Davidson", title = "A configuration interaction study of the spin dipole-dipole parameters for formaldehyde and methylene", journal = j-IJQC, volume = "7", number = "5", pages = "999--1019", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:MCG, author = "A. Go{\l}{\k{e}}biewski and J. Mrozek", title = "Modified {Cartesian Gaussian} functions and their use in quantum chemistry", journal = j-IJQC, volume = "7", number = "5", pages = "1021--1028", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kapur:1973:SRL, author = "K. Kapur and K. V. Sane and P. K. Srivastava", title = "Some remarks on {Linderberg}'s relation", journal = j-IJQC, volume = "7", number = "5", pages = "1029--1031", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rosengren:1973:DEG, author = "A. Rosengren and B. Johansson", title = "{DODS} and the electron gas", journal = j-IJQC, volume = "7", number = "5", pages = "1033--1035", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lindner:1973:BRB, author = "Peter Lindner", title = "Book Review: {{\booktitle{The quantum theory of atoms, molecules and photons}}. Author: John Avery. Published by: McGraw-Hill, London, 1972. Price \pounds $5\cdot50$. No. of pages: 378}", journal = j-IJQC, volume = "7", number = "5", pages = "1037--1037", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070519", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Avery:1972:QTA}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:ECE, author = "O. Goscinski and Y. {\"O}hrn and A. Norman Jette and E. Lombardi and R. Ritter and L. Jansen", title = "Errata: {Coupling of Equivalent Particles in a Field of Given Symmetry}", journal = j-IJQC, volume = "7", number = "5", pages = "1039--1043", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070520", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Goscinski:1968:CEP}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "7", number = "5", pages = "fmi--fmii", month = sep, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Fink:1973:PBB, author = "William H. Fink", title = "Projection between basis sets: {A} means of defining the electronic structure of functional subunits", journal = j-IJQC, volume = "7", number = "6", pages = "1045--1050", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SFQa, author = "F. A. Matsen and A. L. Ford", title = "Spin-free quantum chemistry. {XII}. {Coarse} structure magnetic theory", journal = j-IJQC, volume = "7", number = "6", pages = "1051--1061", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SFQb, author = "F. A. Matsen and J. E. Suger and J. M. Picone", title = "Spin-free quantum chemistry. {XIII}. {Spin} waves", journal = j-IJQC, volume = "7", number = "6", pages = "1063--1075", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SFQc, author = "F. A. Matsen and J. G. Cosgrove and J. M. Picone", title = "Spin-free quantum chemistry. {XIV}. {The} infinite interaction range model for ferromagnetism", journal = j-IJQC, volume = "7", number = "6", pages = "1077--1090", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blokker:1973:TCI, author = "Esko Blokker", title = "A theory for the construction of the irreducible representations of finite groups. {II}", journal = j-IJQC, volume = "7", number = "6", pages = "1091--1097", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ehrenson:1973:ISL, author = "S. Ehrenson and G. D. Harp", title = "Importance sampling in local energy calculations on {H$_2$}", journal = j-IJQC, volume = "7", number = "6", pages = "1099--1116", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wybourne:1973:LAQ, author = "B. G. Wybourne", title = "Lie algebras in quantum chemistry: {Symmetrized} orbitals", journal = j-IJQC, volume = "7", number = "6", pages = "1117--1137", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Soliverez:1973:UIO, author = "Carlos E. Soliverez", title = "The use of irreducible operators for determining the complete set of linearly independent crystal field parameters", journal = j-IJQC, volume = "7", number = "6", pages = "1139--1144", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SFWa, author = "Tai-Ichi Shibuya and Oktay Sinano{\u{g}}lu", title = "Spin-free wave functions in many-electron perturbation theory. {I}. {Closed}-shell systems", journal = j-IJQC, volume = "7", number = "6", pages = "1145--1158", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SFWb, author = "Tai-Ichi Shibuya and Oktay Sinano{\u{g}}lu", title = "Spin-free wave functions in many-electron perturbation theory. {II}. {Systems} with one nonclosed shell", journal = j-IJQC, volume = "7", number = "6", pages = "1159--1174", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Truhlar:1973:IHF, author = "Donald G. Truhlar", title = "Ab initio {Hartree--Fock} calculations of electronic wave functions for the {c\,$^3\Pi_u$} state of {H$_2$}", journal = j-IJQC, volume = "7", number = "6", pages = "1175--1182", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:SVE, author = "A. B. Sannigrahi and S. Noor Mohammad", title = "Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules", journal = j-IJQC, volume = "7", number = "6", pages = "1183--1192", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:APA, author = "I. R{\o}eggen", title = "Applications of {Pad{\'e}} approximants of type {II} in partitioning technique", journal = j-IJQC, volume = "7", number = "6", pages = "1193--1201", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaplan:1973:MEG, author = "I. G. Kaplan and O. B. Rodimova", title = "Matrix elements of general configuration of nonorthogonalized orbitals in state with definite spin", journal = j-IJQC, volume = "7", number = "6", pages = "1203--1220", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:BRB, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Anwendung der Gruppentheorie in der Quantenmechanik}}. Authors: M. J. Petraschen and E. D. Trifonow. Published by: Akademie-Verlag, Berlin, 1969. No. of pages: 240}", journal = j-IJQC, volume = "7", number = "6", pages = "1221--1221", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Petrasen:1969:AGQ}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Caldwell:1973:BRB, author = "Dennis Caldwell", title = "Book Review: {{\booktitle{The Jerusalem Symposia on Quantum Chemistry and Biochemistry}}. Edited by E. D. Bergmann and B. Pullman. Published by: The Jerusalem Academy of Sciences and Humanities. Jerusalem 1970, 1971, and 1972}", journal = j-IJQC, volume = "7", number = "6", pages = "1221--1225", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Bergmann:1970:QAH,Bergmann:1971:APA,Bergmann:1972:PTE,Bergmann:1973:CBM}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Ac, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "7", number = "6", pages = "1227--1228", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1973:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "7", number = "6", pages = "fmi--fmii", month = nov, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Lonneaus:1973:OAE, author = "G. Lonneaus", title = "Opening address at the {Edward U. Condon} symposium", journal = j-IJQC, volume = "7", number = "S7", pages = "1--1", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1973:IUC, author = "J. C. Slater", title = "Introduction of {E. U. Condon, Sanibel Symposium January 22, 1973}", journal = j-IJQC, volume = "7", number = "S7", pages = "3--5", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Condon:1973:RLQ, author = "E. U. Condon", title = "Reminiscences of a life in and out of quantum mechanics", journal = j-IJQC, volume = "7", number = "S7", pages = "7--22", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Odabasi:1973:SEA, author = "Halis Odabasi", title = "Some evidence about the dynamical group {${\rm SO}(4, 2)$} symmetries of the periodic table of elements", journal = j-IJQC, volume = "7", number = "S7", pages = "23--33", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Wybourne:1973:GPY, author = "Brian G. Wybourne", title = "The ``gruppen pest'' yesterday, today, and tomorrow", journal = j-IJQC, volume = "7", number = "S7", pages = "35--43", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sinanoglu:1973:RDN, author = "Oktay Sinano{\u{g}}lu", title = "Remarks on dynamical and noncompact groups in physics and chemistry", journal = j-IJQC, volume = "7", number = "S7", pages = "45--52", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Novaro:1973:CGT, author = "O. Novaro", title = "Comment on the group theoretical justification of the aufbau scheme", journal = j-IJQC, volume = "7", number = "S7", pages = "53--56", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sinanoglu:1973:RCM, author = "Oktay Sinano{\u{g}}lu", title = "Recent {CI} methods for the calculation of pair correlations and more-electron clusters in ground-state atoms", journal = j-IJQC, volume = "7", number = "S7", pages = "57--63", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sinanoglu:1973:ABD, author = "Oktay Sinano{\u{g}}lu", title = "On the agreement between dipole length and dipole velocity calculated oscillator strengths", journal = j-IJQC, volume = "7", number = "S7", pages = "65--67", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Corvilain:1973:KSB, author = "S. Corvilain and G. Verhaegen", title = "{K}-shell binding energies in {C} and {O}", journal = j-IJQC, volume = "7", number = "S7", pages = "69--81", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bagus:1973:CMH, author = "P. S. Bagus and A. J. Freeman and F. Sasaki", title = "Correlation and multiplet hole theory of core-electron energy splittings in transition-metal ions", journal = j-IJQC, volume = "7", number = "S7", pages = "83--92", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Yafet:1973:CIS, author = "Y. Yafet and R. E. Watson", title = "Configuration interaction and screening in the $s^2 p^4 d$ and $sp^6$ configurations", journal = j-IJQC, volume = "7", number = "S7", pages = "93--101", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gruninger:1973:EPQ, author = "John Gruninger and William Clements and Steven Jaworowicz", title = "Effective principal quantum numbers and integral transform functions", journal = j-IJQC, volume = "7", number = "S7", pages = "103--109", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Callan:1973:ETE, author = "Edwin J. Callan", title = "On the energies of two-electron atoms and ions", journal = j-IJQC, volume = "7", number = "S7", pages = "111--115", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Josefson:1973:AMS, author = "Clarence M. Josefson and Boris Musulin", title = "An accurate method for solution of one-electron perturbation equations", journal = j-IJQC, volume = "7", number = "S7", pages = "117--122", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Parr:1973:SCF, author = "Robert G. Parr", title = "The scientific contributions of {S. F. Boys}", journal = j-IJQC, volume = "7", number = "S7", pages = "123--126", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Adams:1973:SSE, author = "William H. Adams", title = "On the solution of the {Schr{\"o}dinger} equation for {H$_2$} in terms of a wave function least distorted from a product of atomic wave functions", journal = j-IJQC, volume = "7", number = "S7", pages = "127--133", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Wu:1973:TDH, author = "Fun-Min Wu and Charles L. Beckel", title = "Theoretical determination of {H$_2$} ground-state spectroscopic properties", journal = j-IJQC, volume = "7", number = "S7", pages = "135--141", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Karo:1973:RAM, author = "Arnold Karo and Morris Krauss and Arnold C. Wahl", title = "Recent applications of the multiconfiguration self-consistent field method to polarizabilities, excited states, {van der Waals} forces, and triatomic surfaces", journal = j-IJQC, volume = "7", number = "S7", pages = "143--159", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Norbeck:1973:FRH, author = "J. M. Norbeck and G. A. Gallup", title = "The first-row hydrides and influences of orbital scaling on formally charged valence bond structures", journal = j-IJQC, volume = "7", number = "S7", pages = "161--168", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Christoffersen:1973:ICL, author = "Ralph E. Christoffersen", title = "Ab initio calculations on large molecules using molecular fragments characterization of anthracene and phenanthrene", journal = j-IJQC, volume = "7", number = "S7", pages = "169--179", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{IHaya:1973:MOR, author = "Y. J. I'Haya and F. Matsukawa", title = "Magneto-optical rotation in molecules. {V}. {The} {Verdet} constant for the oxygen molecule", journal = j-IJQC, volume = "7", number = "S7", pages = "181--184", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Praud:1973:ISO, author = "Lionel Praud and Bernard Levy and Philippe Millie and Gaston Berthier", title = "Ab initio second-order perturbation calculations for excited and ionized states of benzene isomers", journal = j-IJQC, volume = "7", number = "S7", pages = "185--191", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{DelRe:1973:BPL, author = "Giuseppe {Del Re}", title = "Bond properties from a localized {MO--LCAO} approach", journal = j-IJQC, volume = "7", number = "S7", pages = "193--206", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Preston:1973:ISC, author = "Harry J. T. Preston and Joyce J. Kaufman", title = "Ab-initio {SCF} calculations on pyrrole and pyrazole", journal = j-IJQC, volume = "7", number = "S7", pages = "207--215", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ellinger:1973:ANM, author = "Y. Ellinger and J. Serre", title = "An application of the nonrigid molecule group theory to a problem of chemical reactivity", journal = j-IJQC, volume = "7", number = "S7", pages = "217--221", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ellis:1973:ESB, author = "D. E. Ellis and A. Seth", title = "Electron states and bonding in titanium sulfide", journal = j-IJQC, volume = "7", number = "S7", pages = "223--229", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cusachs:1973:SAO, author = "Louis Chopin Cusachs and Haven Scott Aldrich", title = "The shape of atomic orbitals", journal = j-IJQC, volume = "7", number = "S7", pages = "231--237", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Aldrich:1973:CBF, author = "H. S. Aldrich and J. T. Mague and L. C. Cusachs", title = "Conformation and bonding of five- and six-coordinate rhodium complexes from {ARCANA}", journal = j-IJQC, volume = "7", number = "S7", pages = "239--247", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1973:CPP, author = "Joyce J. Kaufman and Harry J. T. Preston and Ellen Kerman and L. Chopin Cusachs", title = "Comparison for pyrrole and pyrazole of orbital energies and population analyses from ab-initio {SCF}, {CNDO/2}, {INDO}, extended {H{\"u}ckel}, and {ARCANA} calculations", journal = j-IJQC, volume = "7", number = "S7", pages = "249--260", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lindner:1973:SEI, author = "Peter Lindner and Yngve {\"O}hrn and John R. Sabin", title = "A semi-empirical investigation of the electronic structure and stability of the oxycumulenes", journal = j-IJQC, volume = "7", number = "S7", pages = "261--267", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Shillady:1973:ECE, author = "Donald D. Shillady and Carl Trindle", title = "Effects of chemical environment on the carbonyl group", journal = j-IJQC, volume = "7", number = "S7", pages = "269--278", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Danese:1973:NMT, author = "J. B. Danese and J. W. D. Connolly", title = "Non-muffin-tin charge density corrections to multiple-scattering-{X$\alpha$}-method", journal = j-IJQC, volume = "7", number = "S7", pages = "279--287", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rouse:1973:CAS, author = "Robert A. Rouse", title = "Conformational analysis of saturated heterocycles substituted final ozonides", journal = j-IJQC, volume = "7", number = "S7", pages = "289--294", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Giessner-Prettre:1973:MOC, author = "C. Giessner-Prettre and B. Pullman", title = "Molecular orbital calculations of the long-range proton-proton coupling constants in purine and pyrimidine nucleosides", journal = j-IJQC, volume = "7", number = "S7", pages = "295--305", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Harrison:1973:SMO, author = "R. W. Harrison and H. J. Lader and L. P. Gary and L. C. Cusachs", title = "Semiempirical molecular orbital calculations: {The} ionization potentials of {HgI$_2$}, the orbitals of the heavier elements, and the approximation of electron repulsion integrals", journal = j-IJQC, volume = "7", number = "S7", pages = "307--310", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Alster:1973:EDM, author = "J. Alster", title = "Electric dipole moment calculations of polyatomic molecules via iterative extended {H{\"u}ckel} wave functions", journal = j-IJQC, volume = "7", number = "S7", pages = "311--318", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kang:1973:MOA, author = "Sungzong Kang and Moon-Hae Cho", title = "Molecular orbital aspects of substituent effects {II}", journal = j-IJQC, volume = "7", number = "S7", pages = "319--327", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Trindle:1973:NSS, author = "Carl Trindle and Thomas D. Bouman", title = "Nuclear spin statistics in fluxional molecules", journal = j-IJQC, volume = "7", number = "S7", pages = "329--335", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sakamoto:1973:CIE, author = "Kazuyoshi Sakamoto and Taisen Hayashi and Y. J. I'Haya", title = "Core integrals of $2p \pi$-electron evaluated from {Heisenberg}'s equation of motion", journal = j-IJQC, volume = "7", number = "S7", pages = "337--345", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Johnson:1973:RAS, author = "K. H. Johnson", title = "Recent applications of the {SCF}--{X$\alpha$} scattered-wave method to complex molecules and solids", journal = j-IJQC, volume = "7", number = "S7", pages = "347--351", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070742", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weinberger:1973:SGS, author = "Peter Weinberger and Daniel D. Konowalow", title = "A study of the ground states of {N$_2$}, {O$_2$}, and {F$_2$} and their {ESCA} spectra by the multiple scattering {X$\alpha$} method", journal = j-IJQC, volume = "7", number = "S7", pages = "353--367", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070743", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1973:PUC, author = "Joyce J. Kaufman", title = "Proposed use of charge--density contour maps from ab initio {SCF} calculations to calibrate sphere sizes for the {MS--X$\alpha$} method", journal = j-IJQC, volume = "7", number = "S7", pages = "369--370", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070744", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Messmer:1973:COX, author = "R. P. Messmer", title = "A calculation of the optical and {X}-ray photoemission transitions of {K$_2$PtCl$_4$}", journal = j-IJQC, volume = "7", number = "S7", pages = "371--376", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070745", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bonham:1973:MQR, author = "R. A. Bonham and H. F. Wellenstein", title = "Measurement of quantities related to the charge and momentum densities of atoms and molecules by use of {keV} electron scattering", journal = j-IJQC, volume = "7", number = "S7", pages = "377--394", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070746", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mendelsohn:1973:RHF, author = "Lawrence B. Mendelsohn and Frank Biggs and Joseph B. Mann", title = "Relativistic {Hartree--Fock Compton} profiles", journal = j-IJQC, volume = "7", number = "S7", pages = "395--407", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070747", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sheen:1973:PIP, author = "S. Sheen and R. Marchessault and C. R. Mueller and T. Anderson", title = "The practical inversion problem in molecular beam scattering", journal = j-IJQC, volume = "7", number = "S7", pages = "409--419", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070748", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sabatier:1973:ACP, author = "Pierre C. Sabatier", title = "Ambiguities in the construction of potentials from phase shifts", journal = j-IJQC, volume = "7", number = "S7", pages = "421--425", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070749", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brickmann:1973:VCE, author = "J. Brickmann", title = "Variational calculations of eigenstates for intramolecular nuclear motions using nontensor product bases", journal = j-IJQC, volume = "7", number = "S7", pages = "427--436", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070750", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mehler:1973:IPP, author = "E. L. Mehler", title = "Independent pair-potential correlated wave functions", journal = j-IJQC, volume = "7", number = "S7", pages = "437--442", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070751", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Langhoff:1973:STF, author = "P. W. Langhoff", title = "Separation theorem for first-order pair-correlation equations", journal = j-IJQC, volume = "7", number = "S7", pages = "443--448", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070752", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bartlett:1973:TCE, author = "Rodney J. Bartlett and John C. Bellum and Erkki J. Br{\"a}ndas", title = "The treatment of correlation effects in second-order properties", journal = j-IJQC, volume = "7", number = "S7", pages = "449--462", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070753", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Westhaus:1973:CEC, author = "Paul Westhaus", title = "Cluster expansions of canonically transformed {Hamiltonians} and effective interactions", journal = j-IJQC, volume = "7", number = "S7", pages = "463--477", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070754", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Clinton:1973:DMF, author = "William L. Clinton", title = "A density-matrix formulation of the {Hartree--Fock--Bogoliubov} equations for space-dependent superconductivity", journal = j-IJQC, volume = "7", number = "S7", pages = "479--489", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070755", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Jordan:1973:UUH, author = "K. D. Jordan", title = "Use of {Unrestricted Hartree--Fock} wave functions in {RPA} calculations", journal = j-IJQC, volume = "7", number = "S7", pages = "491--504", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070756", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Clinton:1973:MOE, author = "W. L. Clinton and C. A. Frishberg and L. J. Massa and P. A. Oldfield", title = "Methods for obtaining an electron-density matrix from {X}-ray diffraction data", journal = j-IJQC, volume = "7", number = "S7", pages = "505--514", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070757", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kashiwagi:1973:GLO, author = "Hiroshi Kashiwagi and Fukashi Sasaki", title = "A Generalization of the {L{\"o}wdin} Orthogonalization", journal = j-IJQC, volume = "7", number = "S7", pages = "515--520", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070758", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Chow:1973:UAS, author = "Yutze Chow and C. J. Liu", title = "A unified analysis of some different approaches to spin-wave theory", journal = j-IJQC, volume = "7", number = "S7", pages = "521--525", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070759", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Schluter:1973:PCD, author = "Michael Schl{\"u}ter", title = "Pseudopotential charge densities of trigonal {Se} and {Te}", journal = j-IJQC, volume = "7", number = "S7", pages = "527--532", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070760", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1973:FPX, author = "J. C. Slater", title = "Future prospects for the {X$_\alpha$} method", journal = j-IJQC, volume = "7", number = "S7", pages = "533--544", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070761", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Painter:1973:RDT, author = "G. S. Painter", title = "Recent developments for treating non-muffin-tin potentials and charge densities in band structure and cluster calculations", journal = j-IJQC, volume = "7", number = "S7", pages = "545--549", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070762", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Collins:1973:ESA, author = "T. C. Collins and A. B. Kunz and J. T. Devreese", title = "An excited state of alkali halides", journal = j-IJQC, volume = "7", number = "S7", pages = "551--557", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070763", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brener:1973:WVF, author = "N. E. Brener", title = "Wave-vector- and frequency-dependent dielectric functions in the {Hartree--Fock--Slater} approximation", journal = j-IJQC, volume = "7", number = "S7", pages = "559--567", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070764", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stoney:1973:WDO, author = "P. Stoney and N. H. March", title = "Wavenumber dependent orbital diamagnetism of nearly free electrons", journal = j-IJQC, volume = "7", number = "S7", pages = "569--576", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070765", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Golden:1973:TDQ, author = "Sidney Golden", title = "Time-dependent quantum statistical inequalities", journal = j-IJQC, volume = "7", number = "S7", pages = "577--584", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070766", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Jehle:1973:PCI, author = "Herbert Jehle", title = "A program concerning intermolecular forces and tissue-specific cell contacts", journal = j-IJQC, volume = "7", number = "S7", pages = "585--596", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070767", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Berggren:1973:MNT, author = "K. F. Berggren", title = "Metal-to-nonmetal transitions in expanded states of sodium", journal = j-IJQC, volume = "7", number = "S7", pages = "597--603", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070768", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Overhauser:1973:NPE, author = "A. W. Overhauser", title = "Nonlocal properties of exchange and correlation potentials in band-structure calculations", journal = j-IJQC, volume = "7", number = "S7", pages = "605--605", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070769", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Surratt:1973:HFL, author = "G. T. Surratt and R. N. Euwema and D. L. Wilhite", title = "{Hartree--Fock} lattice constant and bulk modulus of diamond", journal = j-IJQC, volume = "7", number = "S7", pages = "607--611", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070770", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Wepfer:1973:EMD, author = "G. G. Wepfer and R. N. Euwema and G. T. Surratt and D. L. Wilhite", title = "Electron momentum distribution in diamond", journal = j-IJQC, volume = "7", number = "S7", pages = "613--618", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070771", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Fletcher:1973:DTM, author = "G. C. Fletcher and B. A. Nudel", title = "Dependence of transition metal energy bands on {Hubbard} parameters", journal = j-IJQC, volume = "7", number = "S7", pages = "619--627", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070772", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Claesson:1973:MEM, author = "A. Claesson and W. Jones and G. G. Chell and N. H. March", title = "Many-electron and many-body force effects in the lattice dynamics of metals and semiconductors", journal = j-IJQC, volume = "7", number = "S7", pages = "629--652", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070773", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Enz:1973:LDA, author = "Charles P. Enz", title = "Lattice dynamics above structural phase transitions", journal = j-IJQC, volume = "7", number = "S7", pages = "653--657", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070774", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matthias:1973:S, author = "Bernd T. Matthias", title = "Superconductivity in 1972", journal = j-IJQC, volume = "7", number = "S7", pages = "659--659", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070775", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1973:M, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "7", number = "S7", pages = "i--ii", day = "21--27", month = jan, year = "1973", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560070701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 06:49:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Biology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Daudey:1974:PICa, author = "J. P. Daudey and P. Claverie and J. P. Malrieu", title = "Perturbative ab initio calculations of intermolecular energies. {I}. {Method}", journal = j-IJQC, volume = "8", number = "1", pages = "1--15", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:PICb, author = "J. P. Daudey and J. P. Malrieu and Olivia Rojas", title = "Perturbative ab initio calculations of intermolecular energies. {II}. {The He\dottedbond{}He} problem", journal = j-IJQC, volume = "8", number = "1", pages = "17--28", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:PICc, author = "J. P. Daudey", title = "Perturbative ab initio calculations of intermolecular energies. {III}. {The} water dimer", journal = j-IJQC, volume = "8", number = "1", pages = "29--43", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:MFG, author = "M. M. Mestechkin and G. E. Whyman", title = "Matrix formulation of the generalized {Hartree--Fock} methods", journal = j-IJQC, volume = "8", number = "1", pages = "45--60", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:CIC, author = "Stephen R. Langhoff and Ernest R. Davidson", title = "Configuration interaction calculations on the nitrogen molecule", journal = j-IJQC, volume = "8", number = "1", pages = "61--72", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Damommio:1974:AAS, author = "A. Damommio and M. Synek", title = "Accurate analytical self-consistent field wave functions for {Tm$^{2+}$} and {Tm$^{3+}$}", journal = j-IJQC, volume = "8", number = "1", pages = "73--78", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mathur:1974:MME, author = "S. C. Mathur and Jai Singh", title = "More on molecular electronic structure of metal phthalocyanines", journal = j-IJQC, volume = "8", number = "1", pages = "79--82", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Davidson:1974:MES, author = "Ernest R. Davidson", title = "Matrix elements for spin-adapted configurations", journal = j-IJQC, volume = "8", number = "1", pages = "83--89", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Zeroka:1974:VPH, author = "Daniel Zeroka", title = "Variation of the polarizability of the hydrogen molecule ion and the hydrogen molecule with internuclear separation", journal = j-IJQC, volume = "8", number = "1", pages = "91--95", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:CHF, author = "A. Gupta and A. K. Bhattacharya and P. K. Mukherjee", title = "Coupled {Hartree Fock} calculation of static dipole polarizabilities and shielding factors of open shell systems", journal = j-IJQC, volume = "8", number = "1", pages = "97--105", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dementev:1974:CPS, author = "A. I. Dement'ev and N. F. Stepanov and S. S. Yarovoi", title = "Convergence problems in the solution of {SCF} equations", journal = j-IJQC, volume = "8", number = "1", pages = "107--117", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ali:1974:FOC, author = "M. K. Ali and William J. Meath", title = "Floating one-center perturbation treatments for {H}-like molecules based on screened hydrogen atom or molecular puff unperturbed problems", journal = j-IJQC, volume = "8", number = "1", pages = "119--136", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:ADE, author = "Delano P. Chong and William R. Scott and Chee P. Yue and Pearl S. C. Wang and Margaret L. Benston and William E. Palke", title = "Application of the distinguishable electron method", journal = j-IJQC, volume = "8", number = "1", pages = "137--150", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "1", pages = "fmi--fmii", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Boyle:1974:AEI, author = "L. L. Boyle and C. E. Sch{\"a}uffer", title = "Alternative equivalent icosahedral irreducible tensors", journal = j-IJQC, volume = "8", number = "2", pages = "153--161", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ledovskaya:1974:SHLa, author = "E. M. Ledovskaya and M. I. Petrashen", title = "Symmetry in the {Heitler-London} method. {I}. {The} connection of the molecular point group with its electron permutation group in the {Heitler-London} method", journal = j-IJQC, volume = "8", number = "2", pages = "163--169", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ledovskaya:1974:SHLb, author = "E. M. Ledovskaya and M. I. Petrashen", title = "Symmetry in the {Heitler-London} method. {II}. {The} determination of the allowed molecular multiplets", journal = j-IJQC, volume = "8", number = "2", pages = "171--177", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:MIG, author = "P. Th. {Van Duijnen}", title = "Molecular integrals over generalized {Gaussian} basis sets", journal = j-IJQC, volume = "8", number = "2", pages = "179--191", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leibovici:1974:SIF, author = "Claude Leibovici", title = "Structure de l'ion fluoronium {FH} et chemin de la protonation du fluorure d'hydrog{\`e}ne. ({French}) [{Structure} of the fluoronium ion {FH} and the protonation path of hydrogen fluoride]", journal = j-IJQC, volume = "8", number = "2", pages = "193--200", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Delhalle:1974:NPC, author = "J. Delhalle", title = "On the need of precision in the calculation of the {LCAO} density matrix of polymers", journal = j-IJQC, volume = "8", number = "2", pages = "201--208", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bandrauk:1974:ITF, author = "A. D. Bandrauk", title = "Integral transform functions and separable potentials", journal = j-IJQC, volume = "8", number = "2", pages = "209--221", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:SAR, author = "D. J. Klein and A. A. Cantu", title = "Symmetry adaptation and the relation between the spin-free and space-spin formulations of electronic structure", journal = j-IJQC, volume = "8", number = "2", pages = "223--233", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:CKS, author = "D. J. Klein", title = "Comments on kets not strongly symmetry adapted", journal = j-IJQC, volume = "8", number = "2", pages = "235--245", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:CCE, author = "Debashis Mukherjee", title = "A comparative calculation on excited state energies of some conjugated hydrocarbons", journal = j-IJQC, volume = "8", number = "2", pages = "247--253", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Boyd:1974:CHS, author = "R. J. Boyd and J. Katriel", title = "The {Coulomb} hole in the 2$^3$ {S} state of the helium isoelectronic sequence", journal = j-IJQC, volume = "8", number = "2", pages = "255--261", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Coffey:1974:PEI, author = "Patrick Coffey", title = "Potential energy integrals in semiempirical {MO} methods", journal = j-IJQC, volume = "8", number = "2", pages = "263--266", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:SEW, author = "G. A. Gallup", title = "Symmetries of $n$-electron wave functions under various spatial groups", journal = j-IJQC, volume = "8", number = "2", pages = "267--291", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moccia:1974:SDF, author = "R. Moccia", title = "Static and dynamic first- and second-order properties by variational wave functions", journal = j-IJQC, volume = "8", number = "2", pages = "293--314", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "8", number = "2", pages = "315--316", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "2", pages = "fmi--fmii", month = mar, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Corsaro:1974:VPT, author = "Felicia A. Corsaro and Fran{\c{c}}oise R. Solenberger and Hendrik F. Hameka", title = "A variational perturbation treatment of the hydrogen molecular ion using the green function method on the united atom", journal = j-IJQC, volume = "8", number = "3", pages = "319--333", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lombardi:1974:VTC, author = "E. Lombardi and L. Pirola and G. Tarantini and L. Jansen and R. Ritter", title = "Validity of the three-center, four-electron model for stability of rare gas halides on the basis of exchange perturbation theory", journal = j-IJQC, volume = "8", number = "3", pages = "335--345", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Konig:1974:ITO, author = "E. K{\"o}nig and S. Kremer", title = "Irreducible tensor operator methods in intermediate-field coupling", journal = j-IJQC, volume = "8", number = "3", pages = "347--362", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:SPEa, author = "I. Mayer", title = "Spin projected {EHF} method: {Calculations} for a four-electron model system", journal = j-IJQC, volume = "8", number = "3", pages = "363--372", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Caballol:1974:GOS, author = "Rosa Caballol and Ram{\'o}an Gallifa and Josep M. Riera and Ram{\'o}an Carb{\'o}a", title = "Generalized Open Shell {SCF} Theory", journal = j-IJQC, volume = "8", number = "3", pages = "373--394", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{VonBoehm:1974:SCS, author = "Juhani {Von Boehm} and Peter Krusius", title = "The self-consistent symmetrized {OPW} method with an application to crystalline selenium", journal = j-IJQC, volume = "8", number = "3", pages = "395--422", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carboa:1974:EMS, author = "Ram{\'o}an Carb{\'o}a", title = "Eigenspace manipulation in {SCF} theory: {General} formalism", journal = j-IJQC, volume = "8", number = "3", pages = "423--426", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kiss:1974:MMC, author = "A. I. Kiss and A. Martin", title = "Molecules-in-molecules calculations with fixed resonance integrals", journal = j-IJQC, volume = "8", number = "3", pages = "427--433", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pohl:1974:IHT, author = "Herbert A. Pohl and Donald R. Fowler", title = "An improved {Hellmann}-type pseudopotential for atoms and molecules", journal = j-IJQC, volume = "8", number = "3", pages = "435--450", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nanda:1974:AVS, author = "D. N. Nanda and P. T. Narasimhan", title = "Approximate valence-shell electron unrestricted {Hartree--Fock} calculations with orthogonalized atomic orbitals: {Proton} hyperfine splittings in benzyl and related radicals", journal = j-IJQC, volume = "8", number = "3", pages = "451--465", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:ITH, author = "M. V. Basilevsky and M. M. Berenfeld", title = "Interaction of two {H$_2$} molecules: {Comparative} study of various perturbation procedures", journal = j-IJQC, volume = "8", number = "3", pages = "467--489", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "3", pages = "fmi--fmii", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Laughlin:1974:BWP, author = "C. Laughlin and M. R. Woodward and A. T. Amos", title = "{Brillouin--Wigner} perturbation theory and the generalized eigenvalue equation", journal = j-IJQC, volume = "8", number = "4", pages = "491--498", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aslangul:1974:LTS, author = "C. Aslangul and R. Constanciel and R. Daudel and L. Esnault and E. V. Lude{\~n}a", title = "The loge theory as a starting point for variational calculations. {I}. {General} formalism", journal = j-IJQC, volume = "8", number = "4", pages = "499--522", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:WHS, author = "T. K. Lim", title = "{Waller--Hartree} spin-free method", journal = j-IJQC, volume = "8", number = "4", pages = "523--537", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:SEP, author = "T. K. Lim", title = "{SCF} equations for pure spin states with many-particle interactions", journal = j-IJQC, volume = "8", number = "4", pages = "539--546", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Loubriel:1974:TOE, author = "G. M. Loubriel and R. G. Selsby", title = "A technique for orbital exponent optimization in ab initio {HF SCF LCAO MO} calculations", journal = j-IJQC, volume = "8", number = "4", pages = "547--557", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:SSD, author = "J. Katriel and E. Domany", title = "A study of the symmetry dilemma: {Second}-order transitions", journal = j-IJQC, volume = "8", number = "4", pages = "559--564", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sundaram:1974:NIM, author = "K. Sundaram", title = "Nonbonded interactions in membrane active cyclic biopolymers. {I}. {Valinomycin--potassium} ion complex", journal = j-IJQC, volume = "8", number = "4", pages = "565--583", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:OHM, author = "W. Witschel and B. Grosswendt", title = "Oscillator and hydrogenic matrix elements by operator algebra", journal = j-IJQC, volume = "8", number = "4", pages = "585--604", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:MEC, author = "Fukashi Sasaki", title = "Matrix Elements in Configuration Interaction Calculations", journal = j-IJQC, volume = "8", number = "4", pages = "605--617", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garton:1974:GGE, author = "D. Garton", title = "Gradient of the general energy expression", journal = j-IJQC, volume = "8", number = "4", pages = "619--621", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stenger:1974:IPE, author = "William Stenger", title = "Intermediate problems for eigenvalues", journal = j-IJQC, volume = "8", number = "4", pages = "623--625", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Letoquart:1974:SKP, author = "D. L{\'e}toquart", title = "Simplification of {Kronecker} products for the representations of point groups having only one $n$-fold axis with $n \geq 3$", journal = j-IJQC, volume = "8", number = "4", pages = "627--632", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Ab, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "8", number = "4", pages = "633--633", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "4", pages = "fmi--fmii", month = may, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:40 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Matcha:1974:UTT, author = "Robert L. Matcha and Mac B. Milleur", title = "Unified treatment of two-electron integrals. {II}. {One-center}, electron repulsion, spin-spin and spin-orbit integrals containing r$_{ij}$", journal = j-IJQC, volume = "8", number = "5", pages = "635--642", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:HMO, author = "Milan Randi{\'c}", title = "Hybridization by the maximum overlap method", journal = j-IJQC, volume = "8", number = "5", pages = "643--676", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pulfer:1974:HIEa, author = "J. D. Pulfer and M. A. Whitehead", title = "{Hammerstein} integral equivalent of {Riccati}'s equation", journal = j-IJQC, volume = "8", number = "5", pages = "677--692", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pulfer:1974:HIEb, author = "J. D. Pulfer and M. A. Whitehead", title = "The {Hammerstein} integral equation: a general technique for constructing a rapidly convergent {Pad{\'e}}-type approximation to the logarithmic derivative", journal = j-IJQC, volume = "8", number = "5", pages = "693--706", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jackels:1974:ERO, author = "Charles F. Jackels and Ernest R. Davidson", title = "Equivalence-restricted open-shell {SCF} theory", journal = j-IJQC, volume = "8", number = "5", pages = "707--714", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:TPM, author = "P. E. S. Wormer and A. {Van der Avoird}", title = "Transformation properties of many-electron wave functions with special attention to the relation between pair-correlated {DODS} and configuration interaction", journal = j-IJQC, volume = "8", number = "5", pages = "715--732", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:HPP, author = "Yves G. Smeyers and G. Delgado-Barrio", title = "Half-projected and projected {Hartree--Fock} calculations for singlet ground states. {II}. {Lithium} hydride", journal = j-IJQC, volume = "8", number = "5", pages = "733--743", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Emanuel:1974:IUE, author = "R. V. Emanuel", title = "An investigation into the use of expansion methods in the calculation of chemical shifts and diamagnetic susceptibilities", journal = j-IJQC, volume = "8", number = "5", pages = "745--754", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:ECS, author = "Takashi Kagawa and Tomokazu Murai", title = "Electron correlation study for two-electron atoms by a simple correlated wave function", journal = j-IJQC, volume = "8", number = "5", pages = "755--764", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Narita:1974:DBO, author = "Susumu Narita and Y. J. I'haya", title = "Dual-basis orthonormality-constrained variation method", journal = j-IJQC, volume = "8", number = "5", pages = "765--775", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Coffey:1974:VOT, author = "Patrick Coffey", title = "Virtual orbital transformation prior to configuration interaction with localized orbitals", journal = j-IJQC, volume = "8", number = "5", pages = "777--782", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hackmeyer:1974:GIM, author = "M. Hackmeyer", title = "A general ab initio molecular multi-configuration self-consistent field algorithm", journal = j-IJQC, volume = "8", number = "5", pages = "783--788", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:CMO, author = "E. N{\o}rby Svendsen and Hendrik F. Hameka", title = "Calculation of the magneto--optical activity of the hydrogen molecule", journal = j-IJQC, volume = "8", number = "5", pages = "789--797", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hendekovic:1974:MCM, author = "J. Hendekovi{\'c}", title = "Method of complex molecular orbitals", journal = j-IJQC, volume = "8", number = "5", pages = "799--816", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mulliken:1974:MON, author = "Robert S. Mulliken", title = "Molecular orbitals of nitrogen at small internuclear distances", journal = j-IJQC, volume = "8", number = "5", pages = "817--821", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "5", pages = "fmi--fmii", month = sep, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Guerillot:1974:ECS, author = "C. R. Guerillot and R. Lissillour", title = "Electronic correlation studies. {II}. {Self}-correlated field method. {Application} to ground state and first {$^1$P}, {$^3$P} excited states of two-electron atomic systems", journal = j-IJQC, volume = "8", number = "6", pages = "825--838", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jucys:1974:EHF, author = "A. P. Jucys and V. M. Lazauskas", title = "Extended {Hartree--Fock} self-consistent field with some results for berylliumlike atomic systems", journal = j-IJQC, volume = "8", number = "6", pages = "839--855", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Elbert:1974:ICU, author = "Stephen T. Elbert and Ernest R. Davidson", title = "Ab initio calculations on urea", journal = j-IJQC, volume = "8", number = "6", pages = "857--892", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:SPEb, author = "I. Mayer", title = "Spin-Projected extended {Hartree--Fock} equations. {II}. {Odd}-electron systems", journal = j-IJQC, volume = "8", number = "6", pages = "893--899", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:DPH, author = "Jan Linderberg and Domingo Prato", title = "Dynamic Polarizability of Helium: a Random Phase Approximation Calculation", journal = j-IJQC, volume = "8", number = "6", pages = "901--913", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:ICP, author = "Jan Alml{\"o}f", title = "Ab initio calculations on porphin", journal = j-IJQC, volume = "8", number = "6", pages = "915--924", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:MEA, author = "Jan Linderberg and Lloyd Seamans", title = "Matrix elements in all valence electron models", journal = j-IJQC, volume = "8", number = "6", pages = "925--940", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:SOI, author = "G. L. Bendazzoli and P. Palmieri", title = "Spin-orbit interaction in polyatomic molecules: {Ab} initio computations with {Gaussian} orbitals", journal = j-IJQC, volume = "8", number = "6", pages = "941--950", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:CEL, author = "J. {\v{C}}{\'\i}{\v{z}}ek and J. Paldus and I. Huba{\v{c}}", title = "Correlation effects in the low--lying excited states of the {PPP} models of alternant hydrocarbons. {I}. {Qualitative} rules for the effect of limited configuration interaction", journal = j-IJQC, volume = "8", number = "6", pages = "951--970", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ley:1974:EAV, author = "Barbara E. Ley and Tony Thorpe and Stuart M. Rothstein", title = "Error analysis of variationally optimized upper- and lower-bound wave functions for {H}", journal = j-IJQC, volume = "8", number = "6", pages = "971--980", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:BDW, author = "Kiyoshi Tanaka", title = "Basis dependence of wave functions of the ground state and low-lying excited states of planar formaldehyde", journal = j-IJQC, volume = "8", number = "6", pages = "981--993", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:BR, author = "Anonymous", title = "Book {Reviews}", journal = j-IJQC, volume = "8", number = "6", pages = "995--995", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1974:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "6", pages = "fmi--fmii", month = nov, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Wijkman:1974:WR, author = "{Executive Vice President Gunnar Wijkman}", title = "Welcoming remarks", journal = j-IJQC, volume = "8", number = "S1", pages = "1--1", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sisler:1974:RW, author = "Harry H. Sisler", title = "Remarks of welcome", journal = j-IJQC, volume = "8", number = "S1", pages = "3--4", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1974:AVE, author = "J{\'a}nos Ladik", title = "All valence electron band structures of simple periodic protein models", journal = j-IJQC, volume = "8", number = "S1", pages = "5--11", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Boyd:1974:SSP, author = "Donald B. Boyd", title = "Structural and spectral properties of the disulfide linkage in proteins and other molecules", journal = j-IJQC, volume = "8", number = "S1", pages = "13--19", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Port:1974:QMS, author = "G. N. J. Port and A. Pullman", title = "Quantum-mechanical studies of environmental effects on biomolecules. {III}. {Ab} initio model studies of the hydration of peptides and proteins", journal = j-IJQC, volume = "8", number = "S1", pages = "21--32", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1974:ISB, author = "Alberte Pullman", title = "Ab initio studies on the binding of {Na$^+$} and {K$^+$} to the fundamental components of depsipeptides", journal = j-IJQC, volume = "8", number = "S1", pages = "33--42", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cornelius:1974:CER, author = "John Cornelius and John R. Sabin", title = "A {CNDO} estimate of the relative affinities of taurine and isethionic acid for alkali metal ions", journal = j-IJQC, volume = "8", number = "S1", pages = "43--48", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Baird:1974:SHB, author = "N. Colin Baird", title = "Simulation of hydrogen bonding in biological systems: {Ab} initio calculations for {NH$_3$\bond{}NH$_3$} and {NH$_3$\bond{}NH$_4^+$}", journal = j-IJQC, volume = "8", number = "S1", pages = "49--54", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Aldrich:1974:HBM, author = "Haven S. Aldrich and L. Chopin Cusachs and L. P. Gary", title = "Hydrogen bonding in mixed dimer systems with water", journal = j-IJQC, volume = "8", number = "S1", pages = "55--64", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1974:EBS, author = "J{\'a}nos Ladik", title = "The energy band structure and conduction properties of {DNA}", journal = j-IJQC, volume = "8", number = "S1", pages = "65--69", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Egan:1974:SID, author = "John T. Egan and Thomas J. Swissler and Robert Rein", title = "Some improvements in {DNA} interaction calculations", journal = j-IJQC, volume = "8", number = "S1", pages = "71--79", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sundaralingam:1974:ECP, author = "M. Sundaralingam", title = "Evolution of conformational principles in nucleic acids", journal = j-IJQC, volume = "8", number = "S1", pages = "81--91", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1974:ECP, author = "B. Pullman and H. Berthod and P. H. Courriere", title = "The exploration of the conformational properties of biological phenethylamines by molecular orbital techniques", journal = j-IJQC, volume = "8", number = "S1", pages = "93--108", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kang:1974:CES, author = "Sungzong Kang", title = "Conformation and electronic structures of pilocarpine, a muscarinic agonist", journal = j-IJQC, volume = "8", number = "S1", pages = "109--117", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1974:DRP, author = "Joyce J. Kaufman", title = "Discussion remarks on a possible commonality in the etiology of chemical carcinogenesis and allergy", journal = j-IJQC, volume = "8", number = "S1", pages = "119--122", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Herndon:1974:QTA, author = "William C. Herndon", title = "Quantum theory of aromatic hydrocarbon carcinogenesis", journal = j-IJQC, volume = "8", number = "S1", pages = "123--134", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cooper:1974:TMW, author = "W. Grant Cooper", title = "Theory of mutations. {I}. {Wave} mechanical model for replication independent mutations", journal = j-IJQC, volume = "8", number = "S1", pages = "135--148", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Murphy:1974:MOS, author = "M. F. Murphy and V. B. Haarstad and F. B. Hahn", title = "Molecular orbital studies of the mast cell zinc-histamine storage complex", journal = j-IJQC, volume = "8", number = "S1", pages = "149--157", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Johnson:1974:MOS, author = "Carl Lynn Johnson and Jack Peter Green", title = "Molecular orbital studies on tryptamines active on the {LSD} receptor of the rat fundus strip", journal = j-IJQC, volume = "8", number = "S1", pages = "159--167", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Shinagawa:1974:HMS, author = "Yoshiya Shinagawa and Yasuko Shinagawa", title = "{H{\"u}ckel} {MO} studies on diuretics and carbonic anhydrase inhibitors", journal = j-IJQC, volume = "8", number = "S1", pages = "169--178", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Maggiora:1974:ESP, author = "Gerald M. Maggiora and Ludwik J. Weimann", title = "Electronic structure of porphyrins. {III}. {All}-valence-electron {SCF--MO--CI} calculations of the excited singlet states of dianion and free base reduced porphins", journal = j-IJQC, volume = "8", number = "S1", pages = "179--195", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1974:SPI, author = "Joyce J. Kaufman", title = "A suggested procedure to improve the description of lone pairs in the {PCILO} or more general ab initio perturbative configuration interaction schemes based on localized orbitals", journal = j-IJQC, volume = "8", number = "S1", pages = "197--199", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davies:1974:QIP, author = "R. H. Davies and R. D. Bagnall and W. G. M. Jones", title = "A quantitative interpretation of phase effects in anaesthesia", journal = j-IJQC, volume = "8", number = "S1", pages = "201--212", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Peat:1974:ESO, author = "F. David Peat", title = "The emergence of structure and organization from physical systems", journal = j-IJQC, volume = "8", number = "S1", pages = "213--219", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Comorosan:1974:MPB, author = "Sorin Comorosan", title = "The measurement problem in biology", journal = j-IJQC, volume = "8", number = "S1", pages = "221--228", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rosen:1974:RQT, author = "Robert Rosen", title = "The role of quantum theory in biology", journal = j-IJQC, volume = "8", number = "S1", pages = "229--232", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Goodall:1974:ICN, author = "Marcus C. Goodall and William O. Romine and Ronald J. Bradley", title = "Ion channels and neurotransmitters", journal = j-IJQC, volume = "8", number = "S1", pages = "233--243", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Webb:1974:NVR, author = "Sydney J. Webb", title = "Nutrition and in vivo rotational motion: {A} microwave study", journal = j-IJQC, volume = "8", number = "S1", pages = "245--251", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Walter:1974:LMC, author = "C. F. Walter and H. M. Eberspaecher and J. P. Hughes", title = "An on-line method for the collection of continuous data for enzyme-catalyzed reactions", journal = j-IJQC, volume = "8", number = "S1", pages = "253--258", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1974:SPD, author = "Joyce J. Kaufman and Ellen Kerman", title = "The structure of psychotropic drugs (including theoretical prediction of a new class of effective neuroleptics)", journal = j-IJQC, volume = "8", number = "S1", pages = "259--287", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1974:QCO, author = "Joyce J. Kaufman and Ellen Kerman and Walter S. Koski", title = "Quantum chemical, other theoretical and physicochemical studies on narcotics and narcotic antagonists to understand their mechanism of action", journal = j-IJQC, volume = "8", number = "S1", pages = "289--313", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1974:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "S1", pages = "fmi--fmi", day = "17--19", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "18 Jun 2009", } @Article{Lonaeus:1974:OA, author = "Gunnar Lonaeus", title = "Opening address", journal = j-IJQC, volume = "8", number = "S8", pages = "1--1", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bryan:1974:WR, author = "Robert A. Bryan", title = "Welcoming remarks", journal = j-IJQC, volume = "8", number = "S8", pages = "3--3", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{FroeseFischer:1974:MHF, author = "Charlotte {Froese Fischer}", title = "A multiconfiguration {Hartree--Fock} approach to atomic structure calculations", journal = j-IJQC, volume = "8", number = "S8", pages = "5--15", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Beck:1974:EEC, author = "Donald R. Beck and Cleanthis A. Nicolaides", title = "The effect of electron correlation on atomic properties", journal = j-IJQC, volume = "8", number = "S8", pages = "17--28", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Callan:1974:GSE, author = "Edwin J. Callan", title = "On the ground state energies of first-row atoms and ions", journal = j-IJQC, volume = "8", number = "S8", pages = "29--36", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Csavinszky:1974:FPP, author = "P. Csavinszky and R. Hucek", title = "First-principles pseudo potential calculation for obtaining the $(ns)$ energy levels of the {K} atom", journal = j-IJQC, volume = "8", number = "S8", pages = "37--47", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Larson:1974:CUG, author = "Everett G. Larson and Andreas F. Hall", title = "Concepts useful in the graphical representation of the {Coulomb} hole: {Application} to the description of the ground state of the four-electron boron ion {B$^+$}", journal = j-IJQC, volume = "8", number = "S8", pages = "49--57", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kleinpoppen:1974:SPC, author = "Hans Kleinpoppen", title = "Spin, polarization, and coherence effects in electron atom collision processes", journal = j-IJQC, volume = "8", number = "S8", pages = "59--72", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Henkel:1974:LDN, author = "J. H. Henkel and C. A. Uzes", title = "Level-dependent new {Tamm--Dancoff} calculations", journal = j-IJQC, volume = "8", number = "S8", pages = "73--79", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1974:RIM, author = "J. C. Slater", title = "Recent improvements in the muffin-tin method", journal = j-IJQC, volume = "8", number = "S8", pages = "81--88", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Williams:1974:MST, author = "Arthur R. Williams", title = "Multiple scattering theory beyond the muffin-tin approximation", journal = j-IJQC, volume = "8", number = "S8", pages = "89--108", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Scheire:1974:ESS, author = "L. Scheire and P. Phariseau", title = "On the electronic structure of spheroidal molecules", journal = j-IJQC, volume = "8", number = "S8", pages = "109--116", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ivey:1974:LDE, author = "Jerry L. Ivey", title = "Local density exchange approximations versus {Hartree--Fock} for ground-state calculations", journal = j-IJQC, volume = "8", number = "S8", pages = "117--122", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weinstein:1974:PUA, author = "Harel Weinstein", title = "On the possible use of analytic potentials in the scattered-wave method", journal = j-IJQC, volume = "8", number = "S8", pages = "123--125", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rosen:1974:RCF, author = "A. Ros{\'e}n and J. T. Waber", title = "Relativistic crystal-field radial integrals for rare-earth ions", journal = j-IJQC, volume = "8", number = "S8", pages = "127--136", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Johansen:1974:ICE, author = "Helge Johansen and Bj{\"o}rn Roos", title = "Ab initio calculation of the electronic structure and geometry of {Ni(CH$_3$)$_2$}", journal = j-IJQC, volume = "8", number = "S8", pages = "137--143", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Larsson:1974:ESO, author = "Sven Larsson and Eeva-Kaarina Viinikka and Manoel L. {De Siqueira} and John W. D. Connolly", title = "The electronic structure of octahedral transition metal halides as calculated by the multiple scattering method", journal = j-IJQC, volume = "8", number = "S8", pages = "145--160", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mortola:1974:AMS, author = "Albert P. Mortola and Jules W. Moskowitz and Notker R{\"o}sch", title = "Application of the multiple scattering {X$\alpha$} method to the dirheniumoctachloride anion {Re$_2$Cl$_8$}$^{2-}$", journal = j-IJQC, volume = "8", number = "S8", pages = "161--167", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1974:ISH, author = "A. Pullman and A. M. Armbruster", title = "An ab initio study of the hydration and ammoniation of ammonium ions", journal = j-IJQC, volume = "8", number = "S8", pages = "169--176", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hojer:1974:SNP, author = "Germund H{\"o}jer and Jaime Keller", title = "A short note on the possible stabilization of the local water structure in the liquid due to an oxygen or a nitrogen molecule", journal = j-IJQC, volume = "8", number = "S8", pages = "177--178", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Miller:1974:PMS, author = "Kenneth J. Miller", title = "Partitioning of molecular systems and subsystem replacement by single-centered perturbations: {I}. {A} partitioning theorem and the pseudo substituent technique", journal = j-IJQC, volume = "8", number = "S8", pages = "179--186", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sherman:1974:PMS, author = "Douglas Franklyn Sherman and Daniel Dilella and Kenneth J. Miller", title = "Partitioning of molecular systems and subsystem replacement by single-centered perturbations: {II}. {Applications} of the pseudo substituent technique within {H{\"u}ckel} molecular orbital theory", journal = j-IJQC, volume = "8", number = "S8", pages = "187--199", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rouse:1974:CAS, author = "Robert A. Rouse", title = "Conformational analysis of saturated heterocycles ab initio studies of ethylene ozonides", journal = j-IJQC, volume = "8", number = "S8", pages = "201--207", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Engelke:1974:EHP, author = "Sandra Z. Engelke and Charles L. Beckel", title = "Extended {H{\"u}ckel} $\beta$ parameters applied to diatomic molecules", journal = j-IJQC, volume = "8", number = "S8", pages = "209--217", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kochanski:1974:DDT, author = "Elise Kochanski", title = "Description of the dispersion term between two molecules and two atoms from an ab initio perturbative procedure: {H$_2$ $+$ H$_2$} and {Ne $+$ Ne}", journal = j-IJQC, volume = "8", number = "S8", pages = "219--227", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bellum:1974:SSE, author = "John C. Bellum and David A. Micha", title = "A study of single-electron and total energies for some pairs of noble gas atoms", journal = j-IJQC, volume = "8", number = "S8", pages = "229--240", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kolos:1974:LIR, author = "W. Ko{\l}os", title = "Long- and intermediate-range interaction between two ground state hydrogen atoms", journal = j-IJQC, volume = "8", number = "S8", pages = "241--252", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Redmon:1974:IPD, author = "Michael J. Redmon and David A. Micha", title = "Interaction potentials and dynamics for {Li $+$ F} collisions", journal = j-IJQC, volume = "8", number = "S8", pages = "253--262", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Micha:1974:RDT, author = "David A. Micha", title = "Recent developments in the theory of reactive molecular collisions", journal = j-IJQC, volume = "8", number = "S8", pages = "263--269", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bartlett:1974:CEL, author = "Rodney J. Bartlett and David M. Silver", title = "Correlation energy in {LiH}, {BH}, and {HF} with many-body perturbation theory using {Slater}-type atomic orbitals", journal = j-IJQC, volume = "8", number = "S8", pages = "271--276", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Thomson:1974:ISE, author = "Colin Thomson and Douglas A. Brotchie", title = "An ab initio study of the electronic structure and isotropic hyperfine coupling constants of {HCO}, {FCO}, and {HBF} using different {Gaussian} basis sets", journal = j-IJQC, volume = "8", number = "S8", pages = "277--284", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Raimondi:1974:IVB, author = "M. Raimondi and G. F. Tantardini and M. Simonetta", title = "Ab initio valence bond treatment of simple molecules", journal = j-IJQC, volume = "8", number = "S8", pages = "285--291", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Paldus:1974:CEL, author = "J. Paldus and J. {\v{C}}i{\v{z}}ek and I. Huba{\v{C}}", title = "Correlation effects in the low-lying excited states of the {PPP} models of alternant hydrocarbons. {II}. {State} correlation diagrams", journal = j-IJQC, volume = "8", number = "S8", pages = "293--303", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Yuan:1974:DCE, author = "Jian-Min Yuan and John C. Light", title = "Direct calculation of the electron density via the {Milne} equation", journal = j-IJQC, volume = "8", number = "S8", pages = "305--311", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Peat:1974:SAD, author = "F. David Peat", title = "Suggested applications of the density matrix", journal = j-IJQC, volume = "8", number = "S8", pages = "313--321", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Imai:1974:DCD, author = "Ren Imai and Tsung-Tai Chen and Jack Simons", title = "Direct calculation of density matrices: {Natural} orbitals and occupation numbers of model conjugated molecules", journal = j-IJQC, volume = "8", number = "S8", pages = "323--333", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{George:1974:QMD, author = "C. George and I. Prigogine", title = "Quantum mechanics of dissipative systems and noncanonical formalism", journal = j-IJQC, volume = "8", number = "S8", pages = "335--346", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Langhoff:1974:SIA, author = "P. W. Langhoff", title = "{Stieltjes}-integral approximations to elementary dispersion relations", journal = j-IJQC, volume = "8", number = "S8", pages = "347--361", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ahlberg:1974:DCF, author = "R. Ahlberg", title = "Dispersion coefficients and frequency-dependent polarizabilities", journal = j-IJQC, volume = "8", number = "S8", pages = "363--377", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matsen:1974:UGF, author = "F. A. Matsen", title = "The unitary group formulation of the {$N$}-particle problem", journal = j-IJQC, volume = "8", number = "S8", pages = "379--388", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weislinger:1974:CQM, author = "Edmond Weislinger and Gabriel Olivier", title = "The classical and quantum mechanical virial theorem", journal = j-IJQC, volume = "8", number = "S8", pages = "389--401", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pokrant:1974:NTV, author = "M. A. Pokrant and A. A. Broyles and R. L. Coldwell", title = "Nonzero temperature variational principle", journal = j-IJQC, volume = "8", number = "S8", pages = "403--412", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hunter:1974:CPA, author = "Geoffrey Hunter", title = "Conditional probability amplitude analysis of coupled harmonic oscillators", journal = j-IJQC, volume = "8", number = "S8", pages = "413--420", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Scofield:1974:ASC, author = "D. F. Scofield", title = "Approximate self-consistent {Green}'s functions for solids", journal = j-IJQC, volume = "8", number = "S8", pages = "421--436", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Collins:1974:EHE, author = "T. C. Collins and A. B. Kunz", title = "Excitation {Hamiltonian} of electronic systems using {$\hat{O}\hat{A}\hat{O}$}", journal = j-IJQC, volume = "8", number = "S8", pages = "437--445", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", abstract = "An excitation Hamiltonian is formulated by adding an operator, $\hat{O}\hat{A}\hat{O}$, to the Fock operator whose eigenvalue differences represent excitations of electronic systems. \hat{O} is an operator which projects onto the virtual space of the Fock operator and $\hat{A}$ is chosen so that one has a Koopmans' theorem and a variational principle for these states. The formalism is then used to calculate excitation energies of atomic He, Li, and Be.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Oddershede:1974:HFL, author = "Jens Oddershede and Lalit Kumar and Hendrik J. Monkhorst", title = "On the {Hartree--Fock} limit for metallic hydrogen with plane wave basis", journal = j-IJQC, volume = "8", number = "S8", pages = "447--450", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Boring:1974:CEG, author = "Michael Boring", title = "Computed energy gap in krypton", journal = j-IJQC, volume = "8", number = "S8", pages = "451--455", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Fritsche:1974:BSC, author = "Lothar Fritsche and Mohammad Rafat-Mehr", title = "Band structure calculation for realistic (non-muffin-tin) potentials based on the rigorous cellular method", journal = j-IJQC, volume = "8", number = "S8", pages = "457--463", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Chaney:1974:AMT, author = "Roy C. Chaney and Franklin Dorman", title = "Application of the method of tight binding for determining the excited bands of sodium and potassium", journal = j-IJQC, volume = "8", number = "S8", pages = "465--472", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Koelling:1974:ESR, author = "D. D. Koelling", title = "On the efficient solution of the relativistic {APW} secular equation for both eigenvalues and eigenvectors", journal = j-IJQC, volume = "8", number = "S8", pages = "473--481", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brunn:1974:CAE, author = "Wolfgang Brunn and Lothar Fritsche and Klaus Hermann", title = "Calculation of the adsorption energy of hydrogen on {CR} and {Mo} (001) surfaces by the {MS X$_\alpha$} method", journal = j-IJQC, volume = "8", number = "S8", pages = "483--490", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cohen:1974:MFT, author = "Morrel H. Cohen and John A. Hertz and Paul M. Horn and Vinod K. S. Shante", title = "The metal-ferroelectric transition in {TTF--TCNQ}", journal = j-IJQC, volume = "8", number = "S8", pages = "491--498", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matthias:1974:S, author = "Bernd T. Matthias", title = "Superconductivity in 1973", journal = j-IJQC, volume = "8", number = "S8", pages = "499--500", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Day:1974:GHF, author = "Orville W. Day and Darwin W. Smith and Claude Garrod", title = "A generalization of the {Hartree--Fock} one-particle potential", journal = j-IJQC, volume = "8", number = "S8", pages = "501--509", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Smith:1974:NTO, author = "Darwin W. Smith and Orville W. Day", title = "Natural transition orbitals and {Rowe}'s equations of motion", journal = j-IJQC, volume = "8", number = "S8", pages = "511--513", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1974:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "8", number = "S8", pages = "fmi--fmi", day = "20--26", month = jan, year = "1974", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560080801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:09:12 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gupta:1975:CHF, author = "A. Gupta and H. P. Roy and P. K. Mukherjee", title = "Coupled {Hartree--Fock} calculation of static and shielding factors for open shell atomic systems", journal = j-IJQC, volume = "9", number = "1", pages = "1--8", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:APW, author = "G. N{\'a}ray-Szab{\'o}", title = "All-pair wave function and reduced variational equation for electronic systems", journal = j-IJQC, volume = "9", number = "1", pages = "9--21", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Minchin:1975:EOE, author = "P. E. H. Minchin and B. G. Wybourne", title = "Effective operators and the {$Z$}-expansion method", journal = j-IJQC, volume = "9", number = "1", pages = "23--34", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kamel:1975:DME, author = "M. A. Kamel and L. N. Labzowsky", title = "Density matrix expansions and their application in the theory of the many-electron systems", journal = j-IJQC, volume = "9", number = "1", pages = "35--46", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Young:1975:DRE, author = "Ralph H. Young", title = "Divergence of the {R$^{-1}$} expansion for the second-order {H--H} interaction", journal = j-IJQC, volume = "9", number = "1", pages = "47--50", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anno:1975:SRS, author = "Tosinobu Anno and Hirohide Teruya", title = "Some remarks on the semiempirical one-center electron repulsion integrals", journal = j-IJQC, volume = "9", number = "1", pages = "51--65", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bishop:1975:NIT, author = "David M. Bishop and Barbara E. Schneider", title = "A new integral transform basis function", journal = j-IJQC, volume = "9", number = "1", pages = "67--74", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:FDP, author = "H. P. Roy and A. Gupta and P. K. Mukherjee", title = "Frequency-dependent polarizability of open-shell atomic systems", journal = j-IJQC, volume = "9", number = "1", pages = "75--81", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Selsby:1975:VCS, author = "R. G. Selsby", title = "Variable $\zeta$ calculation for self-consistent screening parameters in ab initio molecular theory", journal = j-IJQC, volume = "9", number = "1", pages = "83--102", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:DRS, author = "Erkki Br{\"a}ndas and Michael Hehenberger and Harold V. McIntosh", title = "Dispersion Relations and Spectral Densities", journal = j-IJQC, volume = "9", number = "1", pages = "103--117", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:PSC, author = "M. Berrondo and D. H. Rojas", title = "Potential surface crossings for diatomic molecules", journal = j-IJQC, volume = "9", number = "1", pages = "119--131", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:LIR, author = "W. Ko{\l}os", title = "Long- and intermediate-range interaction between hydrogen atoms in the {B\,$^1\Sigma$} state", journal = j-IJQC, volume = "9", number = "1", pages = "133--142", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bagus:1975:STS, author = "P. S. Bagus and B. I. Bennett", title = "Singlet--triplet splittings as obtained from the {X} $\alpha$-scattered wave method: {A} theoretical analysis", journal = j-IJQC, volume = "9", number = "1", pages = "143--148", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sims:1975:CCH, author = "James S. Sims and Stanley A. Hagstrom", title = "Combined {CI--HY} studies of atomic states. {II}. {Compact} wave functions for the be ground state", journal = j-IJQC, volume = "9", number = "1", pages = "149--156", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SFQa, author = "F. A. Matsen and J. M. Picone and T. L. Welsher", title = "Spin-free quantum chemistry. {XV Spin}-only neutron diffraction", journal = j-IJQC, volume = "9", number = "1", pages = "157--169", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SFQb, author = "F. A. Matsen and T. L. Welsher", title = "Spin-free quantum chemistry. {XVI}. {Spin} correlation", journal = j-IJQC, volume = "9", number = "1", pages = "171--188", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:IHO, author = "Charles E. Reid and Erkki J. Br{\"a}ndas", title = "Integrals of harmonic oscillator eigenfunctions over powers of $x$", journal = j-IJQC, volume = "9", number = "1", pages = "189--191", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "1", pages = "fmi--fmii", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Carbo:1975:EMP, author = "Ram{\'o}n Carb{\'o} and Miguel Martin", title = "Electrostatic molecular potentials: {Mulliken} approximation", journal = j-IJQC, volume = "9", number = "2", pages = "193--214", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:FPP, author = "P. Csavinszky and R. Hucek", title = "A first-principle pseudopotential calculation of the ($ns$) energy levels of the {K} atom. {II}", journal = j-IJQC, volume = "9", number = "2", pages = "215--227", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Binkley:1975:MPT, author = "J. S. Binkley and J. A. Pople", title = "{M{\o}ller--Plesset} theory for atomic ground state energies", journal = j-IJQC, volume = "9", number = "2", pages = "229--236", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:CPA, author = "Geoffrey Hunter", title = "Conditional probability amplitudes in wave mechanics", journal = j-IJQC, volume = "9", number = "2", pages = "237--242", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:CFT, author = "Ante Graovac and Hendrik J. Monkhorst and M. L. Glasser", title = "Computation of {Fourier} transform quantities in {Hartree--Fock} calculations for simple crystals", journal = j-IJQC, volume = "9", number = "2", pages = "243--259", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kiss:1975:TIE, author = "A. I. Kiss and F. Jo{\'o}", title = "Theoretical investigation of the $\pi$-electronic structure and spectra of protonated aromatic carbonyl compounds", journal = j-IJQC, volume = "9", number = "2", pages = "261--271", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{FroeseFischer:1975:CSL, author = "Charlotte {Froese Fischer}", title = "A correlation study of {Li} ground state by the {MCHF} procedure", journal = j-IJQC, volume = "9", number = "2", pages = "273--285", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Horino:1975:ESE, author = "Yasuyo Horino and Hiroshi Tatewaki", title = "The electronic structure of the excited states for {B}, {C$^+$}, and {C} arising from the configuration $1s^2 2s 2p^n$ --- the effect of removal of the ``equivalence'' restriction", journal = j-IJQC, volume = "9", number = "2", pages = "287--299", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fimple:1975:FDS, author = "W. R. Fimple and S. P. White", title = "A finite-difference solution of the {Hartree--Fock} equations for diatomic molecules", journal = j-IJQC, volume = "9", number = "2", pages = "301--324", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dalton:1975:NME, author = "Bryan J. Dalton and Philip D. Nicholson", title = "Nonrigid molecule effects in molecules with linear or nongeometrically equivalent equilibrium configurations", journal = j-IJQC, volume = "9", number = "2", pages = "325--377", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SWM, author = "V. Raina and P. K. Srivastava and K. V. Sane", title = "Square well model and the functional form for the resonance integral", journal = j-IJQC, volume = "9", number = "2", pages = "379--381", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "2", pages = "fmi--fmii", month = mar, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Bhattacharya:1975:CCH, author = "A. K. Bhattacharya and R. K. Moitra and A. Mukherji", title = "Corrections to coupled {Hartree--Fock} theory: the rearrangement effect", journal = j-IJQC, volume = "9", number = "3", pages = "385--392", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sundaram:1975:AOT, author = "K. Sundaram", title = "Applications of an optimization technique in submolecular biology", journal = j-IJQC, volume = "9", number = "3", pages = "393--402", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:CBP, author = "Maurice R. Kibler", title = "Comparison between the point-charge electrostatic model and the angular overlap model: {The} general case", journal = j-IJQC, volume = "9", number = "3", pages = "403--420", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:APT, author = "Maurice R. Kibler", title = "An alternative parametrization for the theory of complex spectra", journal = j-IJQC, volume = "9", number = "3", pages = "421--429", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:RTP, author = "I. R{\o}eggen", title = "Resolvent technique and {Pad{\'e}} approximants in configuration interaction calculations", journal = j-IJQC, volume = "9", number = "3", pages = "431--443", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:EPP, author = "John S. Avery", title = "Enhanced probability for the photoelectric effect in a {Faraday} cage", journal = j-IJQC, volume = "9", number = "3", pages = "445--457", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Johansen:1975:ICE, author = "Helge Johansen", title = "Ab initio calculation of the electronic structure of {TCNQ} and its ions", journal = j-IJQC, volume = "9", number = "3", pages = "459--471", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rosen:1975:UC, author = "Philip Rosen", title = "Ultraviolet carcinogenesis", journal = j-IJQC, volume = "9", number = "3", pages = "473--478", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barnsley:1975:VBT, author = "Michael F. Barnsley and Peter D. Robinson", title = "Variational bounds on transition probabilities", journal = j-IJQC, volume = "9", number = "3", pages = "479--487", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SDW, author = "T. K. Lim", title = "Spin densities in the {Waller--Hartree} spin-free method", journal = j-IJQC, volume = "9", number = "3", pages = "489--493", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:RCH, author = "H. P. Roy and A. K. Bhattacharya", title = "Rearrangement correction to higher polarizabilities of two-electron systems", journal = j-IJQC, volume = "9", number = "3", pages = "495--504", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:DSE, author = "Tai-Ichi Shibuya and Yasumasa J. I'haya and Vincent McKoy", title = "Dynamical screening by {$\Sigma$}-electrons in $\pi$-electron transitions: {Treatment} in the equations-of-motion method", journal = j-IJQC, volume = "9", number = "3", pages = "505--516", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SPEa, author = "I. Mayer and J. Kond{\'a}sz", title = "Spin-projected {EHF} method. {II}. {The} equations for successive optimization of the orbitals in the many-electron case", journal = j-IJQC, volume = "9", number = "3", pages = "517--526", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SPEb, author = "I. Mayer and M. Kert{\'e}sz", title = "Spin-projected {EHF} method. {III}. {Applications} to $\pi$-electron systems", journal = j-IJQC, volume = "9", number = "3", pages = "527--536", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:ICS, author = "G. L. Bendazzoli and P. Palmieri", title = "Ab initio computations of spin-orbit interactions in polyatomic molecules. {Splitting} of sulfur {L$_{II}, {III}$} states and singlet--triplet transitions in {SO$_2$}", journal = j-IJQC, volume = "9", number = "3", pages = "537--544", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:NPH, author = "Atri Mukhopadhyay and Raj Kumar Moitra and Debashis Mukherjee", title = "On a new partitioning of the {Hamiltonian} in many-body calculation of pair-correlation energies in closed-shell systems", journal = j-IJQC, volume = "9", number = "3", pages = "545--554", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:E, author = "I. Mayer", title = "Erratum", journal = j-IJQC, volume = "9", number = "3", pages = "555--555", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:A, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "9", number = "3", pages = "557--557", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "3", pages = "fmi--fmii", month = may, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:41 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Nordling:1975:EAL, author = "J. O. Nordling", title = "Effect of approximate linear dependence on the solution of the eigenvalue problem: {A} study by means of the super-secular equation", journal = j-IJQC, volume = "9", number = "4", pages = "561--581", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SCM, author = "Jaime Keller", title = "{SC} {Cellular} multiple scattering in molecular electronic structure calculations", journal = j-IJQC, volume = "9", number = "4", pages = "583--604", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Misurkin:1975:ESC, author = "I. A. Misurkin and A. A. Ovchinnikov and G. A. Vinogradov", title = "Electronic structure and collective excitations of long molecules with conjugation in the main chain", journal = j-IJQC, volume = "9", number = "4", pages = "605--625", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lissillour:1975:ECS, author = "R. Lissillour and C. R. Guerillot", title = "Electronic correlation studies. {III}. {Self}-correlated field method. {Application} to {$^2$S} ground state and {$^2$P} excited state of three-electron atomic systems", journal = j-IJQC, volume = "9", number = "4", pages = "627--634", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:UGS, author = "R. D. Poshusta and V. P. Agrawal and W. D. Moseley", title = "On the use of {Gaussian} shell type basis orbitals for single-center expansions. {I}. {Evaluation} of integrals", journal = j-IJQC, volume = "9", number = "4", pages = "635--647", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hatch:1975:SSS, author = "Dorian M. Hatch", title = "Selected stable states in large quantum systems", journal = j-IJQC, volume = "9", number = "4", pages = "649--655", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Men:1975:MCO, author = "B. A. Men and P. T. Varshavsky and A. N. Men", title = "Many-centered and one-centered plethysms in the problem of many centers", journal = j-IJQC, volume = "9", number = "4", pages = "657--668", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Men:1975:SCS, author = "B. A. Men and M. L. Leschinsky and A. N. Men", title = "The ``seniority'' classification of spin {Hamiltonian} and states of complexes and molecules in approximation of one-centered plethysms", journal = j-IJQC, volume = "9", number = "4", pages = "669--681", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:GFE, author = "N. N. Tyutyulkov", title = "A generalized formula for the energies of alternant molecular orbitals. {I}. {Homonuclear} molecules", journal = j-IJQC, volume = "9", number = "4", pages = "683--689", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lazukova:1975:EFG, author = "N. I. Lazukova and V. A. Gubanov and R. N. Pletnev", title = "Electric field gradient calculation in {V$_2$O$_5$}", journal = j-IJQC, volume = "9", number = "4", pages = "691--700", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:PTW, author = "Steven Adams and Shlomo Nir and Robert Rein", title = "Perturbation theories and wave functions for calculation of electronic polarizabilities application to {DNA} bases", journal = j-IJQC, volume = "9", number = "4", pages = "701--710", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ivanov:1975:PTD, author = "L. N. Ivanov and U. I. Safronova", title = "Perturbation theory for degenerate states of atomic and molecular systems", journal = j-IJQC, volume = "9", number = "4", pages = "711--719", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jucys:1975:NRO, author = "A. P. Jucys and K. V. Sabas and Z. J. Kupliauskis", title = "Nonorthogonal radial orbitals for the configuration $l^n l$", journal = j-IJQC, volume = "9", number = "4", pages = "721--741", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jucys:1975:SOI, author = "A. P. Jucys and K. V. Sabas and Z. J. Kupliauskis", title = "The spin-orbit interaction in the configuration {nl$^N$n'l} using nonorthogonal radial orbitals", journal = j-IJQC, volume = "9", number = "4", pages = "743--754", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Caldwell:1975:BRB, author = "Dennis Caldwell", title = "Book Review: {{\booktitle{Advances in radiation chemistry}}. Vol. 4. Edited by: M. Burton and J. L. Magee. Published by: Wiley-Interscience, John Wiley \& Sons, Inc. New York, 1974}", journal = j-IJQC, volume = "9", number = "4", pages = "755--757", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:BRB, author = "John R. Sabin", title = "Book Review: {{\booktitle{Bibliography of ab initio molecular wave functions. Supplement for 1970--1973}}. Authors: W. G. Richards, T. E. H. Walker, L. Farnell, and P. R. Scott. Published by: Oxford University Press, London, 1974. Price: \$29.95 (\pounds 9.50) No. of Pages: 358}", journal = j-IJQC, volume = "9", number = "4", pages = "757--758", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Richards:1971:BIM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sundaram:1975:NIM, author = "K. Sundaram", title = "Nonbonded interactions in membrane active cyclic biopolymers. {I}. valinomycin-potassium ion complex", journal = j-IJQC, volume = "9", number = "4", pages = "759--759", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "4", pages = "fmi--fmii", month = jul, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Mestechkin:1975:DMO, author = "M. M. Mestechkin and G. E. Whyman", title = "Density matrix in the open shell theory", journal = j-IJQC, volume = "9", number = "5", pages = "761--773", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:HFC, author = "H. Stoll and H. Preuss", title = "{Hartree--Fock} calculation of cohesive energies and equilibrium lattice constants for solid {Li} and {Be}", journal = j-IJQC, volume = "9", number = "5", pages = "775--787", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thulstrup:1975:SIF, author = "Poul W. Thulstrup", title = "Smooth Interpolation, {Fourier} Transformation, and Two-Center Overlap Integrals For Numerical Atomic Orbitals", journal = j-IJQC, volume = "9", number = "5", pages = "789--795", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:ERM, author = "E. N{\o}rby Svendsen and Hendrik F. Hameka", title = "Effect of the rotational motion of molecules on their optical and magneto-optical activity", journal = j-IJQC, volume = "9", number = "5", pages = "797--815", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sheen:1975:EOR, author = "S. H. Sheen and J. G. Skofronick and C. R. Mueller", title = "Effect of orbiting resonance on the elastic differential cross sections", journal = j-IJQC, volume = "9", number = "5", pages = "817--824", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:VPT, author = "Yuri Dmitriev and Bj{\"o}rn Roos", title = "A variational principle for transition and density matrices and approximations to the equations-of-motion", journal = j-IJQC, volume = "9", number = "5", pages = "825--834", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Young:1975:NCP, author = "Ralph H. Young and Walter J. Deal", title = "Nonadiabatic core polarization and penetration correction in alkali-like atoms: {Model} computations on excited states of helium", journal = j-IJQC, volume = "9", number = "5", pages = "835--853", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Primas:1975:DFR, author = "H. Primas and M. Schleicher", title = "A density functional representation of quantum chemistry. {II}. {Local} quantum field theories of molecular matter in terms of the charge density operator do not work", journal = j-IJQC, volume = "9", number = "5", pages = "855--870", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schleicher:1975:DFR, author = "M. Schleicher and H. Primas", title = "A density functional representation of quantum chemistry. {III}. {Rigorous} realization of the program in lattice space", journal = j-IJQC, volume = "9", number = "5", pages = "871--886", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:ESM, author = "L. Scheire and P. Phariseau", title = "The electronic structure of molecules having arbitrary boundaries", journal = j-IJQC, volume = "9", number = "5", pages = "887--900", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nerbrant:1975:AMB, author = "Per-Olof Nerbrant", title = "Application of many-body {Green}'s functions to the calculation of molecular ionization potentials", journal = j-IJQC, volume = "9", number = "5", pages = "901--916", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:WGL, author = "P. Birner and H.-J. K{\"o}hler and C. Weiss", title = "Wechselwirkungen gerichteter Ladungsverteilungen. {I}. {IRDO} (intermediate retention of differential overlap)-Berechnungen zum Einflu{\ss} des einsamen Elektronenpaars am Stickstoff auf die relative Acidit{\"a}t des $ \beta $-Picolins. ({German}) [Interactions of directed charge distributions. {I}. {IRDO} (intermediate retention of differential overlap) calculations on the influence of the lone pair of electrons on nitrogen on the relative acidity of the $ \beta $ picoline]", journal = j-IJQC, volume = "9", number = "5", pages = "917--922", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "German", onlinedate = "19 Oct 2004", } @Article{Heidrich:1975:QUM, author = "D. Heidrich and M. Grimmer", title = "{Quantenchemische Untersuchungen zum Mechanismus der elektrophilen Substitution. {I}. {Zur} Potentialhyperfl{\"a}che des systems Benzol\slash H$^+$}. ({German}) [{Quantum} chemical studies on the mechanism of electrophilic substitution. {I}. Potential hypersurface of the benzene\slash {H$^+$} system]", journal = j-IJQC, volume = "9", number = "5", pages = "923--940", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "German", onlinedate = "19 Oct 2004", } @Article{Calais:1975:SHV, author = "Jean-Louis Calais", title = "Studies in honour of {V{\"a}in{\"o} Toivo Hovi} on the occasion of his sixtieth birthday. {Annales Universitatis Turkuensis}, {Series A No}. 162, 1973", journal = j-IJQC, volume = "9", number = "5", pages = "941--941", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "5", pages = "fmi--fmii", month = sep, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Mukherjee:1975:OOS, author = "Debashis Mukherjee", title = "Orbital optimisation in single open-shell configurations: {A} sequential unconstrained minimisation technique", journal = j-IJQC, volume = "9", number = "6", pages = "943--949", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Doktorov:1975:CSA, author = "E. V. Doktorov and I. A. Malkin and V. I. Man'ko", title = "Coherent states and asymptotic behavior of the symmetric top wave functions", journal = j-IJQC, volume = "9", number = "6", pages = "951--968", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morikawa:1975:OFF, author = "Tetsuo Morikawa", title = "Operator formalism for forming ket vectors under some constraints", journal = j-IJQC, volume = "9", number = "6", pages = "969--973", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harriss:1975:SLS, author = "D. K. Harriss and I. G. Solev", title = "On the solution of the least-squares local energy variance minimization equations", journal = j-IJQC, volume = "9", number = "6", pages = "975--980", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:YOW, author = "T. K. Lim", title = "{Young} operators and the {Waller--Hartree} spinfree method", journal = j-IJQC, volume = "9", number = "6", pages = "981--985", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:CEP, author = "J. {\v{C}}{\'i}{\v{z}}ek and A. Pell{\'e}gatti and J. Paldus", title = "Correlation effects in the {PPP} model of alternant $\pi$-electronic systems: two-point {Pad{\'e}} approximant approach", journal = j-IJQC, volume = "9", number = "6", pages = "987--1007", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuprievich:1975:ICS, author = "V. A. Kuprievich and O. V. Shramko", title = "Improved convergence of self-consistence procedures in the {MC SCF} theory", journal = j-IJQC, volume = "9", number = "6", pages = "1009--1020", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barriel:1975:EHT, author = "J. M. Barriel and J. M. Riera and F. Sanz and R. Caballol and M. Vidal and R. Carb{\'o}", title = "Extended {H{\"u}ckel} theory of hydrogen-molecule interactions", journal = j-IJQC, volume = "9", number = "6", pages = "1021--1031", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:APTa, author = "Yuri Dmitriev", title = "Adiabatic perturbation theory for the degenerate case. {I}. {Perturbation} of isolated degenerate or quasidegenerate levels", journal = j-IJQC, volume = "9", number = "6", pages = "1033--1045", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:APTb, author = "Yuri Dmitriev", title = "Adiabatic perturbation theory for the degenerate case. {II}. {Perturbation} of degenerate bound states embedded in the continuum", journal = j-IJQC, volume = "9", number = "6", pages = "1047--1053", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lo:1975:OOM, author = "B. W. N. Lo", title = "Orbit-orbit molecular integrals over {Gaussian} orbitals", journal = j-IJQC, volume = "9", number = "6", pages = "1055--1067", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:VPD, author = "Eduardo V. Lude{\~n}a", title = "Variational principles for discontinuous wave functions and the independent particle model of electronic structure", journal = j-IJQC, volume = "9", number = "6", pages = "1069--1085", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:AMO, author = "M. Dugay and J. Thomas", title = "Alternant molecular orbitals ({AMO}'s) for some organic semiconductors: {Ion} radical salts from 7, 7, 8, 8-tetracyanoquinodimethane {(TCNQ)} and chloranil\slash para-phenylenediamine {(PDC)} charge transfer complex", journal = j-IJQC, volume = "9", number = "6", pages = "1087--1095", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Murty:1975:MCO, author = "J. S. Murty and C. R. Sarma", title = "A method for the construction of orthogonal spin eigenfunctions", journal = j-IJQC, volume = "9", number = "6", pages = "1097--1107", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:SPE, author = "C. R. Sarma", title = "Spin projections for even electron systems", journal = j-IJQC, volume = "9", number = "6", pages = "1109--1112", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:EIT, author = "Mark L. Olson and Daniel D. Konowalow", title = "Energy of interaction of two hydrogen atoms using contracted {Gaussian} type valence-bond wavefunctions", journal = j-IJQC, volume = "9", number = "6", pages = "1113--1129", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1975:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "6", pages = "fmi--fmii", month = nov, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:57:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Brandow:1975:FTE, author = "B. H. Brandow", title = "Formal Theory of Effective $\pi$-Electron {Hamiltonians}", journal = j-IJQC, volume = "??", number = "??", pages = "??--??", month = "??", year = "1975", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 03 19:11:08 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Song:1975:ESP, author = "Pill-Soon Song and Chen-An Chin and Iwao Yamazaki and Hiroaki Baba", title = "Electronic structure and photoreactivity of the triplet states of skin-sensitizing psoralens", journal = j-IJQC, volume = "9", number = "S2", pages = "1--8", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weimann:1975:ESA, author = "Ludwik J. Weimann and Gerald M. Maggiora and Paul E. Blatz", title = "Excited states of all-{\em trans\/} and 11-{\em cis\/} retinal: {All} valence-electron {SCF-MO-CI} calculations", journal = j-IJQC, volume = "9", number = "S2", pages = "9--24", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Loew:1975:QCC, author = "Gilda H. Loew and J. Randal Jester and Donald Berkowitz and Richard C. Newth", title = "Quantum chemical calculations of flexible opiate narcotics: {Methadone}, meperidine, and prodines", journal = j-IJQC, volume = "9", number = "S2", pages = "25--34", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1975:PQC, author = "Joyce J. Kaufman and Walter S. Koski", title = "Physicochemical, quantum chemical, and other theoretical studies of the mechanism of action of {CNS} agents: {Anesthetics}, narcotics and narcotic antagonists, and psychotropic drugs", journal = j-IJQC, volume = "9", number = "S2", pages = "35--57", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weinstein:1975:SNQ, author = "Harel Weinstein", title = "Some new quantum chemical procedures for the analysis of drug--receptor interactions", journal = j-IJQC, volume = "9", number = "S2", pages = "59--69", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1975:QMS, author = "Bernard Pullman and Anil Saran", title = "Quantum-mechanical studies on the conformation of phospholipids", journal = j-IJQC, volume = "9", number = "S2", pages = "71--97", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rein:1975:TSC, author = "Robert Rein and V. Renugopalakrishnan and S. Nir and T. J. Swissler", title = "Theoretical studies on the conformation of peptides in solution {I}. {Conformation} of {N}-acetyl glycine {N}-methyl amide in solution", journal = j-IJQC, volume = "9", number = "S2", pages = "99--107", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Renugopalakrishnan:1975:CAG, author = "V. Renugopalakrishnan and M. Renugopalakrishnan and Bibudhendra Sarkar", title = "Conformational analysis of $\beta$-glycine, l-alanine, and {bisglycinato-Cu(II)} complex", journal = j-IJQC, volume = "9", number = "S2", pages = "109--116", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Harmison:1975:BST, author = "Charles R. Harmison", title = "Biophysical studies on two conformations of a human plasma lipoprotein", journal = j-IJQC, volume = "9", number = "S2", pages = "117--128", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{McMahon:1975:PRS, author = "James E. McMahon and James M. Pipas", title = "Predicting {RNA} secondary interactions from primary sequence", journal = j-IJQC, volume = "9", number = "S2", pages = "129--131", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1975:TES, author = "J{\'a}nos J. Ladik", title = "Toward the electronic structure of real {DNA}", journal = j-IJQC, volume = "9", number = "S2", pages = "133--143", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rein:1975:EPB, author = "Robert Rein and Yves Coeckelenbergh and John T. Egan", title = "Elaboration of the principle of base complementarity and the elements of a theory of point mutations", journal = j-IJQC, volume = "9", number = "S2", pages = "145--153", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Duke:1975:SIM, author = "Brian J. Duke and Deidre R. Eilers and James E. Eilers and Sungzong Kang and A. Liberles and Brian O'Leary", title = "Simulated ab initio molecular orbital calculations of large polynuclear aromatic hydrocarbons", journal = j-IJQC, volume = "9", number = "S2", pages = "155--170", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Neely:1975:UMO, author = "W. Brock Neely", title = "The use of molecular orbital calculations as an aid in screening aromatic amines as potential carcinogens", journal = j-IJQC, volume = "9", number = "S2", pages = "171--177", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Memory:1975:ESP, author = "J. D. Memory", title = "Electrophilic superdelocalizability and the {Pullman} theory of carcinogenesis", journal = j-IJQC, volume = "9", number = "S2", pages = "179--180", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Petrongolo:1975:UEM, author = "Carlo Petrongolo and Jacopo Tomasi", title = "The use of the electrostatic molecular potential in quantum pharmacology. {I}. {Ab} initio results", journal = j-IJQC, volume = "9", number = "S2", pages = "181--190", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Purcell:1975:QSA, author = "William Paul Purcell", title = "Quantitative structure--activity relationships of psychotropic agents", journal = j-IJQC, volume = "9", number = "S2", pages = "191--196", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Block:1975:SAC, author = "Arthur McB. Block and Richard G. Clements", title = "Structure--activity correlations for phenoxyacetic acids and indoleacetic acids used for plant growth regulation", journal = j-IJQC, volume = "9", number = "S2", pages = "197--202", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weintraub:1975:CSS, author = "H. J. R. Weintraub and A. J. Hopfinger", title = "The {CAMSEQ} software system in drug design calculations", journal = j-IJQC, volume = "9", number = "S2", pages = "203--208", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Vanderkooi:1975:TMS, author = "Garret Vanderkooi", title = "Thermodynamics of membrane structure: {Implications} for pharmacology", journal = j-IJQC, volume = "9", number = "S2", pages = "209--219", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Urry:1975:MMI, author = "Dan W. Urry", title = "Molecular mechanisms of ion permeation of membranes", journal = j-IJQC, volume = "9", number = "S2", pages = "221--235", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Born:1975:HBS, author = "Sidney Born and Kazuo Kitahara", title = "Hydrogen bonds in the sodium conductivity of nerve membranes", journal = j-IJQC, volume = "9", number = "S2", pages = "237--257", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Born:1975:ICS, author = "Gregory Born and John R. Sabin", title = "Ab {Initio} calculation of some electronically excited states of a hydrogen-bonded system: {A} preliminary report", journal = j-IJQC, volume = "9", number = "S2", pages = "259--262", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nir:1975:ACF, author = "Shlomo Nir", title = "Application of continuum field approach to calculation of hydrogen bonding energies in liquid water", journal = j-IJQC, volume = "9", number = "S2", pages = "263--270", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Aldrich:1975:MOS, author = "Haven Scott Aldrich", title = "Molecular orbital studies involving sulfur and selenium", journal = j-IJQC, volume = "9", number = "S2", pages = "271--278", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Popkie:1975:TCC, author = "Herbert E. Popkie and Joyce J. Kaufman", title = "Test of charge-conserving integral approximations for a variable retention of diatomic differential overlap ({VRDDO}) procedure for semi-ab initio molecular orbital calculations on large molecules", journal = j-IJQC, volume = "9", number = "S2", pages = "279--288", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Green:1975:QMB, author = "H. S. Green and T. Triffet", title = "Quantum mechanics and the brain", journal = j-IJQC, volume = "9", number = "S2", pages = "289--296", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Laki:1975:AAN, author = "Koloman Laki", title = "Actin as an ancient nucleotide-binding protein", journal = j-IJQC, volume = "9", number = "S2", pages = "297--305", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Fox:1975:MPQ, author = "Sidney W. Fox", title = "The matrix for the protobiological quantum: {Cosmic} casino or shapes of molecules?", journal = j-IJQC, volume = "9", number = "S2", pages = "307--320", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bass:1975:CET, author = "George E. Bass", title = "The comorosan effect: {Toward} a perspective", journal = j-IJQC, volume = "9", number = "S2", pages = "321--324", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Vilallonga:1975:EIA, author = "Federico A. Vilallonga and Johanna S. Hunt", title = "The effect of the injection of alkanols and alkanediols beneath dipalmitoyl phosphatidylethanol amine monolayers", journal = j-IJQC, volume = "9", number = "S2", pages = "325--329", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Georghiou:1975:NSR, author = "S. Georghiou and Jorge E. Churchich", title = "Nanosecond spectroscopy of retinol bound to proteins", journal = j-IJQC, volume = "9", number = "S2", pages = "331--337", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Webb:1975:DVE, author = "S. J. Webb and M. E. Stoneham", title = "The display of in vivo energy states by laser-{Raman} spectroscopy", journal = j-IJQC, volume = "9", number = "S2", pages = "339--343", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sabin:1975:EN, author = "John R. Sabin", title = "Editorial note", journal = j-IJQC, volume = "9", number = "S2", pages = "345--345", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1975:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "S2", pages = "fmi--fmi", day = "16--18", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "18 Jun 2009", } @Article{Lonaeus:1975:OS, author = "Gunnar Lonaeus", title = "Opening statement", journal = j-IJQC, volume = "9", number = "S9", pages = "1--1", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Thomas:1975:R, author = "L. H. Thomas", title = "Reminiscences", journal = j-IJQC, volume = "9", number = "S9", pages = "3--4", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Thomas:1975:NLS, author = "L. H. Thomas", title = "A new look at some old ideas about quantum theory", journal = j-IJQC, volume = "9", number = "S9", pages = "5--6", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1975:CTX, author = "J. C. Slater", title = "Comparison of {TFD} and {X$\alpha$} methods for molecules and solids", journal = j-IJQC, volume = "9", number = "S9", pages = "7--21", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lundqvist:1975:DET, author = "S. Lundqvist", title = "Dynamical extensions of the {Thomas--Fermi} theory", journal = j-IJQC, volume = "9", number = "S9", pages = "23--30", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Biedenharn:1975:RTF, author = "L. C. Biedenharn", title = "A remark on the {Thomas--Fermi} equation", journal = j-IJQC, volume = "9", number = "S9", pages = "31--33", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Handler:1975:HSL, author = "George S. Handler", title = "{Hermitian} symmetry and low-order statistical density matrices", journal = j-IJQC, volume = "9", number = "S9", pages = "35--42", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Green:1975:TFL, author = "A. E. S. Green and R. H. Garvey and C. H. Jackman", title = "A {Thomas--Fermi}-like analytic independent particle model for atoms and ions", journal = j-IJQC, volume = "9", number = "S9", pages = "43--50", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Waber:1975:RET, author = "J. T. Waber and J. M. Canfield", title = "Relativistic effects in the {Thomas--Fermi} atom", journal = j-IJQC, volume = "9", number = "S9", pages = "51--58", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Goodisman:1975:MPT, author = "J. Goodisman and K. Yonei", title = "Minimum principles for the {Thomas--Fermi--Dirac} density", journal = j-IJQC, volume = "9", number = "S9", pages = "59--66", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Berrondo:1975:EFD, author = "M. Berrondo and O. Goscinski", title = "Energy as a functional of the density matrix", journal = j-IJQC, volume = "9", number = "S9", pages = "67--73", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cusachs:1975:RTJ, author = "L. C. Cusachs", title = "Remarks in tribute to {Jeremy Musher} (1935-1974)", journal = j-IJQC, volume = "9", number = "S9", pages = "75--81", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gunnarsson:1975:CBS, author = "O. Gunnarsson and P. Johansson and S. Lundqvist and B. I. Lundqvist", title = "Chemical binding in small molecules by the spin-density-functional formalism", journal = j-IJQC, volume = "9", number = "S9", pages = "83--93", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sambe:1975:ASM, author = "Hideo Sambe", title = "An approximate {SCF MO} theory of molecules based on {Slater}'s {X$\alpha$} method", journal = j-IJQC, volume = "9", number = "S9", pages = "95--104", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Scheire:1975:CES, author = "L. Scheire and P. Phariseau", title = "Calculation of the energy states in a general molecular potential model a new {MSW} approach", journal = j-IJQC, volume = "9", number = "S9", pages = "105--115", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cartling:1975:ULD, author = "Bo G. Cartling", title = "On the use of a localized description of the electronic structure of solids", journal = j-IJQC, volume = "9", number = "S9", pages = "117--121", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Csavinszky:1975:PDE, author = "P. Csavinszky", title = "Position dependence of the exchange hole in atoms and ions", journal = j-IJQC, volume = "9", number = "S9", pages = "123--128", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weber:1975:MXC, author = "J. Weber and J. W. D. Connolly", title = "{MS--X$\alpha$} calculation of the barrier to internal rotation in ethylene", journal = j-IJQC, volume = "9", number = "S9", pages = "129--136", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Preston:1975:MXC, author = "Harry J. T. Preston and Joyce J. Kaufman and Walter S. Koski", title = "{MS--X$\alpha$} calculations of polyhedral boron compounds", journal = j-IJQC, volume = "9", number = "S9", pages = "137--145", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Grein:1975:MME, author = "F. Grein and A. Banerjee", title = "A multiconfiguration method for excited states of atoms and molecules", journal = j-IJQC, volume = "9", number = "S9", pages = "147--154", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sinanoglu:1975:CDT, author = "Oktay Sinano{\u{g}}lu", title = "Charge densities and transition densities from the theory of non-closed-shell states and their experimental tests", journal = j-IJQC, volume = "9", number = "S9", pages = "155--164", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Paldus:1975:PCU, author = "Josef Paldus", title = "A pattern calculus for the unitary group approach to the electronic correlation problem", journal = j-IJQC, volume = "9", number = "S9", pages = "165--174", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Laskowski:1975:APH, author = "Bernard Laskowski and Sten Lunell", title = "Angularly projected {Hartree--Fock} calculation of the hyperfine interaction in {Li 2\,$^2$P}", journal = j-IJQC, volume = "9", number = "S9", pages = "175--182", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bartlett:1975:SAD, author = "Rodney J. Bartlett and David M. Silver", title = "Some aspects of diagrammatic perturbation theory", journal = j-IJQC, volume = "9", number = "S9", pages = "183--198", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Larson:1975:PHO, author = "Everett G. Larson", title = "Particle-hole operators as state generators defects in the random phase approximation (as evidenced by calculations on the frozen-{K}-shell model of the {B$^+$} ion)", journal = j-IJQC, volume = "9", number = "S9", pages = "199--212", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Deutsch:1975:EOA, author = "P. W. Deutsch and T. C. Collins", title = "An excitation operator approach to localized excited states", journal = j-IJQC, volume = "9", number = "S9", pages = "213--220", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Goscinski:1975:TOD, author = "O. Goscinski", title = "On transition operators for describing ionization and excitation", journal = j-IJQC, volume = "9", number = "S9", pages = "221--227", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Morrison:1975:EKT, author = "Robert C. Morrison and Orville W. Day and Darwin W. Smith", title = "An extension of {Koopmans}' theorem {III}. {Ionization} energies of the open-shell atoms {Li} and {B}", journal = j-IJQC, volume = "9", number = "S9", pages = "229--235", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hall:1975:SMS, author = "Michael B. Hall", title = "A semiquantitative model of spin-orbit coupling in doublet states and its application to the photoelectron spectra of diatomic halogens", journal = j-IJQC, volume = "9", number = "S9", pages = "237--243", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mehler:1975:OCE, author = "E. L. Mehler and G. A. {Van Der} Velde and W. C. Nieuwpoort", title = "Orbital correlation effects {II}. {Potential} curve and ionization potential of boron hydride", journal = j-IJQC, volume = "9", number = "S9", pages = "245--254", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Trindle:1975:GTR, author = "Carl Trindle and Thomas D. Bouman", title = "Group theory and reaction mechanisms: {An} extension of the {McIver--Stanton} rules", journal = j-IJQC, volume = "9", number = "S9", pages = "255--264", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cusachs:1975:LRT, author = "L. C. Cusachs and H. S. Aldrich and J. G. Aiken and H. B. Jonassen and K. S. Wheelock", title = "Limitations of {Roby's Theorem}", journal = j-IJQC, volume = "9", number = "S9", pages = "265--267", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Dalgaard:1975:EWM, author = "Esper Dalg{\aa}rd and Jan Linderberg", title = "Energy weighted maximum overlap in magnetic fields applications to electron spin resonance problems", journal = j-IJQC, volume = "9", number = "S9", pages = "269--277", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hall:1975:CBE, author = "G. G. Hall", title = "Charges and bond energies in the analysis of quantum chemistry calculations", journal = j-IJQC, volume = "9", number = "S9", pages = "279--284", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bak:1975:HBF, author = "B. Bak and P. A. Lund", title = "Hydrogen bonding in 1-fluoroacetic acid rotamers", journal = j-IJQC, volume = "9", number = "S9", pages = "285--287", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Raffenetti:1975:OET, author = "Richard C. Raffenetti", title = "Optimal even-tempered {Gaussian} atomic orbital bases: {First}-row atoms", journal = j-IJQC, volume = "9", number = "S9", pages = "289--295", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gubanov:1975:XRE, author = "V. A. Gubanov and E. Z. Kurmaev", title = "{X}-ray emission spectra and electronic structure of {TiC}, {TiN}, and {TiO}", journal = j-IJQC, volume = "9", number = "S9", pages = "297--310", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Hunter:1975:IPC, author = "Geoffrey Hunter", title = "Ionization potentials and conditional amplitudes", journal = j-IJQC, volume = "9", number = "S9", pages = "311--315", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Carney:1975:VRA, author = "G. D. Carney and C. W. Kern", title = "Vibration--rotation analysis of some nonlinear molecules by a variational method", journal = j-IJQC, volume = "9", number = "S9", pages = "317--323", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Jordan:1975:AAC, author = "K. D. Jordan", title = "Applications of analytic continuation in the construction of potential energy curves", journal = j-IJQC, volume = "9", number = "S9", pages = "325--336", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weltin:1975:DON, author = "E. E. Weltin", title = "Direct optimization of nonlinear parameters", journal = j-IJQC, volume = "9", number = "S9", pages = "337--341", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cullen:1975:AVP, author = "John Cullen and Michael C. Zerner", title = "An approximate variational perturbation model for molecular energy", journal = j-IJQC, volume = "9", number = "S9", pages = "343--350", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ellis:1975:ADS, author = "D. E. Ellis and A. Ros{\'e}n and P. F. Walch", title = "Applications of the {Dirac--Slater} model to molecules", journal = j-IJQC, volume = "9", number = "S9", pages = "351--358", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Novaro:1975:FBT, author = "O. Novaro and F. Y{\'a}{\~n}ez", title = "Four-body terms in multibody expansions for noble gas clusters", journal = j-IJQC, volume = "9", number = "S9", pages = "359--365", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Adams:1975:SEW, author = "William H. Adams", title = "On the separability of electronic wave functions", journal = j-IJQC, volume = "9", number = "S9", pages = "367--373", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Srebrenik:1975:RPS, author = "S. Srebrenik", title = "{Rayleigh} principle for a subspace of a quantum system", journal = j-IJQC, volume = "9", number = "S9", pages = "375--383", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bernstein:1975:BRR, author = "R. B. Bernstein", title = "Branching ratios in reactive collisions: {Theory} versus experiment", journal = j-IJQC, volume = "9", number = "S9", pages = "385--395", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nesbet:1975:AMR, author = "R. K. Nesbet", title = "Atom-molecule reactive collisions: {A} combined experimental and theoretical research project", journal = j-IJQC, volume = "9", number = "S9", pages = "397--401", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Redmon:1975:TDQ, author = "Michael J. Redmon and Robert E. Wyatt", title = "Three-dimensional quantum mechanical studies of the {H $+$ H$_2$} and {F $+$ H$_2$} reactions", journal = j-IJQC, volume = "9", number = "S9", pages = "403--414", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Blum:1975:SAE, author = "K. Blum and H. Kleinpoppen", title = "Spin analysis of electron atom collisions", journal = j-IJQC, volume = "9", number = "S9", pages = "415--424", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weislinger:1975:VTB, author = "Edmond Weislinger and Gabriel Olivier", title = "The virial theorem with boundary conditions applications to the harmonic oscillator and to sine-shaped potentials", journal = j-IJQC, volume = "9", number = "S9", pages = "425--433", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Steinborn:1975:LTB, author = "E. O. Steinborn and E. Filter", title = "{Laplace}-type, bipolar, and polypolar expansions of {$r^N Y^M_L(\theta, \varphi)$} and {Helmholtz} harmonics {$j_L(kr) Y^M_L(\theta, \varphi)$} for molecular calculations", journal = j-IJQC, volume = "9", number = "S9", pages = "435--442", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Prigogine:1975:DSD, author = "I. Prigogine", title = "Dissipative structures, dynamics and entropy", journal = j-IJQC, volume = "9", number = "S9", pages = "443--456", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brandas:1975:RTE, author = "Erkki Br{\"a}ndas and Piotr Froelich", title = "A remark on time evolution and spectral concentration", journal = j-IJQC, volume = "9", number = "S9", pages = "457--459", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Langhoff:1975:QTR, author = "P. W. Langhoff and W. R. Heffner", title = "Quantum theory of radiative transition phenomena", journal = j-IJQC, volume = "9", number = "S9", pages = "461--470", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Schieve:1975:HTD, author = "W. C. Schieve and Adi R. Bulsara", title = "The higher time derivatives of the generalized {Liapunov} function", journal = j-IJQC, volume = "9", number = "S9", pages = "471--475", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Adawi:1975:SDT, author = "I. Adawi", title = "Semiclassical derivation of the tunneling probability in magnetic breakdown", journal = j-IJQC, volume = "9", number = "S9", pages = "477--480", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cusack:1975:CMD, author = "S. Cusack and N. H. March", title = "Charge and momentum density in metals and alloys", journal = j-IJQC, volume = "9", number = "S9", pages = "481--496", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Calais:1975:CPI, author = "Jean-Louis Calais", title = "Cohesive properties of ionic crystals", journal = j-IJQC, volume = "9", number = "S9", pages = "497--509", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Boyer:1975:SCR, author = "L. L. Boyer and B. M. Klein", title = "A self-consistent relativistic {APW} method with the spin-orbit interaction treated as a perturbation", journal = j-IJQC, volume = "9", number = "S9", pages = "511--518", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Collins:1975:LEC, author = "T. C. Collins and A. B. Kunz and J. L. Ivey", title = "Local excitations in crystalline systems", journal = j-IJQC, volume = "9", number = "S9", pages = "519--527", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Henkel:1975:PCF, author = "J. H. Henkel and T. C. Collins and J. L. Iveyt and R. N. Euwema", title = "Polarization calculations for ferroelectric sodium nitrite", journal = j-IJQC, volume = "9", number = "S9", pages = "529--533", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Freeman:1975:EDI, author = "A. J. Freeman and H. W. Myron and J. Rath and R. P. Gupta", title = "Electronically driven instabilities in metals", journal = j-IJQC, volume = "9", number = "S9", pages = "535--550", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nam:1975:NMC, author = "Sang Boo Nam", title = "A new method for calculating the g factor in a solid", journal = j-IJQC, volume = "9", number = "S9", pages = "551--553", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brener:1975:RDF, author = "N. E. Brener", title = "{RPA} dielectric function for real solids", journal = j-IJQC, volume = "9", number = "S9", pages = "555--561", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1975:NBS, author = "J{\'a}nos Ladik", title = "A note on the band structure of the {TCNQ-TTF} system", journal = j-IJQC, volume = "9", number = "S9", pages = "563--567", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Arko:1975:LEP, author = "A. J. Arko and G. Crabtree and J. B. Ketterson and F. M. Mueller and P. F. Walch and L. R. Windmiller and Z. Fisk and R. F. Hoyt and A. C. Mota and R. Viswanathan and D. E. Ellis and A. J. Freeman and J. Rath", title = "Large electron--phonon interaction but low-temperature superconductivity in {LaB$_6$}", journal = j-IJQC, volume = "9", number = "S9", pages = "569--578", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matthias:1975:S, author = "Bernd T. Matthias", title = "Superconductivity in 1974", journal = j-IJQC, volume = "9", number = "S9", pages = "579--580", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1975:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "9", number = "S9", pages = "i--i", day = "19--25", month = jan, year = "1975", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560090801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:29:31 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; http://www3.interscience.wiley.com/journalfinder.html", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1976:RSC, author = "Anonymous", title = "Reflections on the scientific career of {Jeremy Musher}", journal = j-IJQC, volume = "10", number = "1", pages = "1--3", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ra:1976:OOO, author = "{\O}ystein Ra", title = "Orthogonalization of overlapping orbitals by optimal polynomials. {I}. {Polynomials} constructed from spectral radii", journal = j-IJQC, volume = "10", number = "1", pages = "5--20", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Trindle:1976:IHF, author = "Carl Trindle and John K. George", title = "Integral {Hellmann--Feynman} computations on {H$_3$ ABH$_n$ \bond{} H$_2$ABH$_{n + 1}$} rearrangements", journal = j-IJQC, volume = "10", number = "1", pages = "21--35", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SSP, author = "F. A. Gianturco", title = "On the scattering of slow protons by diatomic targets", journal = j-IJQC, volume = "10", number = "1", pages = "37--56", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ra:1976:API, author = "{\O}ystein Ra", title = "Asymptotic properties of inverses of cyclic overlap matrices in the large separation limit", journal = j-IJQC, volume = "10", number = "1", pages = "57--69", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Whitton:1976:RBR, author = "W. N. Whitton and W. Byers Brown", title = "The relationship between the {Rayleigh--Schr{\"o}dinger} and asymptotic perturbation theories of intermolecular forces", journal = j-IJQC, volume = "10", number = "1", pages = "71--86", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:CGC, author = "M. R. Kibler and P. A. M. Guichon", title = "{Clebsch--Gordan} coefficients for chains of groups of interest in quantum chemistry", journal = j-IJQC, volume = "10", number = "1", pages = "87--111", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:ISD, author = "Alain Pellegatti et Andr{\'e} Julg", title = "Influence de la structure de diverses fonctions sur l'evaluation de l'{\'e}nergie de correlation. ({French}) [{Influence} of the structure of various functions on the evaluation of correlation energy]", journal = j-IJQC, volume = "10", number = "1", pages = "113--121", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Banerjee:1976:CBS, author = "A. Banerjee and F. Grein", title = "Convergence behavior of some multiconfiguration methods", journal = j-IJQC, volume = "10", number = "1", pages = "123--134", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:IAB, author = "Hiroshi Kashiwagi", title = "Integral Approximations on the Basis of Semiorthogonalized Orbitals", journal = j-IJQC, volume = "10", number = "1", pages = "135--141", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grabenstetter:1976:GGS, author = "J. E. Grabenstetter and T. J. Tseng and F. Grein", title = "Generation of genealogical spin eigenfunctions", journal = j-IJQC, volume = "10", number = "1", pages = "143--149", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Besson:1976:ASC, author = "M. A. Besson and M. Suard", title = "Analysis of the space correlation factors in a {MCSCF} representation of {LiH} and {Li$_2$} molecules", journal = j-IJQC, volume = "10", number = "1", pages = "151--162", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weltin:1976:DME, author = "E. E. Weltin", title = "Direct minimization of the energy by simultaneous variation of parameters in nonorthogonal basis functions. {I}. {Method}", journal = j-IJQC, volume = "10", number = "1", pages = "163--174", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bertetta:1976:SRD, author = "E. Bertetta and F. Vetrano and F. Solimano", title = "Some remarks on a double perturbation theory for molecular complexes", journal = j-IJQC, volume = "10", number = "1", pages = "175--179", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:ASVa, author = "A. B. Sannigrahi and S. Noor Mohammad", title = "On the applicability of the selected valence electron split-shell model to ionic molecules", journal = j-IJQC, volume = "10", number = "1", pages = "181--184", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bartlett:1976:CEL, author = "Rodney J. Bartlett and David M. Silver", title = "Correlation energy in {LiH}, {BH}, and {HF} with many-body perturbation theory using {Slater}-type atomic orbitals", journal = j-IJQC, volume = "10", number = "1", pages = "185--186", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Aa, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "10", number = "1", pages = "187--189", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "1", pages = "fmi--fmii", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:18 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{McIntosh:1976:LDS, author = "Harold V. McIntosh and Michael Hehenberger and Rodolfo Reyes-Sanchez", title = "Lattice dynamics with second neighbor interactions. {II}. {Green}'s formula", journal = j-IJQC, volume = "10", number = "2", pages = "191--216", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:LIR, author = "W. Ko{\l}os", title = "Long- and intermediate-range interaction in three lowest sigma states of the {HeH$^+$} ion", journal = j-IJQC, volume = "10", number = "2", pages = "217--224", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weislinger:1976:AQV, author = "Edmond Weislinger and Gabriel Olivier", title = "Applications of a quantum virial theorem to {Kronig} and {Penney}'s model and to a diatomic molecule in static approximation", journal = j-IJQC, volume = "10", number = "2", pages = "225--231", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nerbrant:1976:UPT, author = "Per-Olof Nerbrant", title = "The use of partitioning technique in the solution of operator equations for ionizations and excitations", journal = j-IJQC, volume = "10", number = "2", pages = "233--247", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hameka:1976:ECF, author = "Hendrik F. Hameka and E. N{\o}rby Svendsen", title = "Errors in the calculations of first-order and second-order energy perturbations", journal = j-IJQC, volume = "10", number = "2", pages = "249--259", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kennard:1976:CAF, author = "E. B. Kennard and J. T. Waber", title = "Calculated anisotropies in the {Fermi} surface of alkali metals", journal = j-IJQC, volume = "10", number = "2", pages = "261--280", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jeziorski:1976:FOP, author = "Bogumi{\l} Jeziorski and Marek Bulski and Lucjan Piela", title = "First-Order perturbation treatment of the short-range repulsion in a system of many closed-shell atoms or molecules", journal = j-IJQC, volume = "10", number = "2", pages = "281--297", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:EPS, author = "T. K. Lim", title = "Exclusion principle and the symmetry adapted wave-functions", journal = j-IJQC, volume = "10", number = "2", pages = "299--305", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gunnarsson:1976:SDF, author = "O. Gunnarsson and P. Johansson", title = "The spin-density-functional formalism for quantum mechanical calculations: {Test} on diatomic molecules with an efficient numerical method", journal = j-IJQC, volume = "10", number = "2", pages = "307--323", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kitaura:1976:NED, author = "Kazuo Kitaura and Keiji Morokuma", title = "A new energy decomposition scheme for molecular interactions within the {Hartree--Fock} approximation", journal = j-IJQC, volume = "10", number = "2", pages = "325--340", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goodisman:1976:VET, author = "Jerry Goodisman", title = "Valence-Electron theory using the {Thomas--Fermi--Dirac} model: {Application} to the {K} atom and the {K$^-$} ion", journal = j-IJQC, volume = "10", number = "2", pages = "341--358", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schurr:1976:LAH, author = "J. Michael Schurr", title = "Light absorption at high intensities. {Comparison} of quantum theory and semi-classical results", journal = j-IJQC, volume = "10", number = "2", pages = "359--377", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:MIR, author = "Osamu Matsuoka", title = "Molecular integrals of relativistic effects with {Gaussian}-type orbitals", journal = j-IJQC, volume = "10", number = "2", pages = "379--379", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Ab, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "10", number = "2", pages = "381--381", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "2", pages = "fmi--fmii", month = mar, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Jafri:1976:III, author = "J. A. Jafri and J. L. Whitten", title = "Iterative introduction of integral approximations with error bounds in {SCF} calculations", journal = j-IJQC, volume = "10", number = "3", pages = "383--391", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cartling:1976:RMS, author = "Bo G. Cartling and Douglas M. Whitmore", title = "Relativistic molecular spinors by generalized multiple scattering theory", journal = j-IJQC, volume = "10", number = "3", pages = "393--412", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lathouwers:1976:NAC, author = "Luc Lathouwers", title = "A new approach to canonical orthonormalisation", journal = j-IJQC, volume = "10", number = "3", pages = "413--418", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:PTA, author = "Walter J. Deal and Ralph H. Young", title = "Perturbation theory with an approximate perturbation: {The} effect of charge overlap on interatomic interactions", journal = j-IJQC, volume = "10", number = "3", pages = "419--428", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:STE, author = "M. Trsic and J. E. Sanhueza and Ll. Espinoza", title = "Singlet and triplet excited state electric dipole polarizabilities of conjugated hydrocarbons", journal = j-IJQC, volume = "10", number = "3", pages = "429--437", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leclerc:1976:CSU, author = "Jean-Claude Leclerc", title = "Comparative study of unconventional $1s$ basis functions for the {$^1\Sigma$} ground state of {H$_2$} and {He}", journal = j-IJQC, volume = "10", number = "3", pages = "439--454", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:USE, author = "L. L. Combs and Carl P. Miller", title = "The use of single exponential orbitals in one-center molecular orbital calculations", journal = j-IJQC, volume = "10", number = "3", pages = "455--460", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:AHP, author = "Yves. G. Smeyers and G. Delgado-Barrio", title = "Analysis of the half-projected {Hartree--Fock} function: {Density} matrix, natural orbitals, and configuration interaction equivalence", journal = j-IJQC, volume = "10", number = "3", pages = "461--472", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pilkington:1976:MEA, author = "Phillip W. Pilkington and Stanley C. Neely", title = "Matrix elements for an approximate ab initio $\pi$-electron theory", journal = j-IJQC, volume = "10", number = "3", pages = "473--493", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garrod:1976:DMV, author = "Claude Garrod and Mario A. Fusco", title = "A density matrix variational calculation for atomic {Be}", journal = j-IJQC, volume = "10", number = "3", pages = "495--510", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SFQa, author = "F. A. Matsen", title = "Spin-free quantum chemistry. {XVII}. {The H{\"u}ckel--Hubbard} theory and the {Woodward--Hoffmann} rules", journal = j-IJQC, volume = "10", number = "3", pages = "511--524", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SFQb, author = "F. A. Matsen", title = "Spin-Free quantum chemistry. {XVIII}. {The} unitary group formulation of the many-electron problem", journal = j-IJQC, volume = "10", number = "3", pages = "525--542", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SPP, author = "Joyce J. Kaufman and H. E. Popkie", title = "Similarity in the pattern per atom-pair in benzene of contributions to total energy or total overlap populations", journal = j-IJQC, volume = "10", number = "3", pages = "543--544", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:GTB, author = "O. Novaro and F. Y{\'a}{\~n}ez", title = "{Gaussian}-type bases for the calculation of the interaction energy between neon atoms", journal = j-IJQC, volume = "10", number = "3", pages = "545--550", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Caldwell:1976:BRB, author = "Dennis Caldwell", title = "Book Review: {{\booktitle{From theoretical physics to biology. Proceedings of the Third International Conference `From Theoretical Physics to Biology', Versailles, June 1971}}. Edited by: M. Marois, Paris. Published by: S. Karger AG, Basel, 1973. Price: \$43.00}", journal = j-IJQC, volume = "10", number = "3", pages = "551--552", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Marois:1973:TPB}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:BRB, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Methods in molecular orbital theory}}. Author: Almon G. Turner. Published by: Prentice-Hall, Englewood Cliffs, New Jersey, 1974. Price: \pounds 9.45. No. of pages: xiii + 225}", journal = j-IJQC, volume = "10", number = "3", pages = "552--553", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Turner:1974:MMO}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:BRB, author = "Sven Larsson", title = "Book Review: {{\booktitle{Quantum theory of the chemical bond}}. Author: H. F. Hameka. Published by: Hafner Press, New York and London, 1975}", journal = j-IJQC, volume = "10", number = "3", pages = "553--553", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:DRD, author = "Anonymous", title = "Drug-Receptor and {Drug-Enzyme Interactions}: {A Basic Approach}", journal = j-IJQC, volume = "10", number = "3", pages = "555--557", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "3", pages = "fmi--fmii", month = may, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Kaufman:1976:QCC, author = "Joyce J. Kaufman and Ellen Kerman", title = "Quantum chemical calculations on thioridazine", journal = j-IJQC, volume = "10", number = "4", pages = "559--567", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Popkie:1976:ILM, author = "Herbert E. Popkie and Joyce J. Kaufman", title = "Ab initio {LCAO--MO--SCF} calculation of chlorpromazine and promazine", journal = j-IJQC, volume = "10", number = "4", pages = "569--580", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Butler:1976:CSAa, author = "P. H. Butler and B. G. Wybourne", title = "Calculation of $j$ and $jm$ symbols for arbitrary compact groups. {I}. {Methodology}", journal = j-IJQC, volume = "10", number = "4", pages = "581--598", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Butler:1976:CSAb, author = "P. H. Butler", title = "Calculation of $j$ and $jm$ symbols for arbitrary compact groups. {II}. {An} alternate procedure for angular momentum", journal = j-IJQC, volume = "10", number = "4", pages = "599--613", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Butler:1976:CSAc, author = "P. H. Butler and B. G. Wybourne", title = "Calculation of $j$ and $jm$ symbols for arbitrary compact groups. {III}. {Application} to {SO$_3$ $\supset T \supset C_3 \supset C_1$}", journal = j-IJQC, volume = "10", number = "4", pages = "615--628", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SIM, author = "Michael P. S. Collins and Brian J. Duke and James E. Eilers and Brian O'Leary", title = "The simulated ab initio molecular orbital technique. {VI}. {Open}-shell radicals in the spin restricted formalism", journal = j-IJQC, volume = "10", number = "4", pages = "629--642", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Fimple:1976:FDA, author = "W. R. Fimple and M. J. Unwin", title = "A finite-difference approach to the electron correlation problem", journal = j-IJQC, volume = "10", number = "4", pages = "643--658", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SOC, author = "G. L. Bendazzoli and G. Orlandi and P. Palmieri", title = "Spin-Orbit coupling in aromatic hydrocarbons: {A} semiempirical evaluation of the radiative lifetimes of naphtalene and anthracene", journal = j-IJQC, volume = "10", number = "4", pages = "659--668", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hyslop:1976:ISE, author = "J. Hyslop and D. Rees", title = "An interative scheme for electronic systems using one-electron {Green}'s functions", journal = j-IJQC, volume = "10", number = "4", pages = "669--681", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:CPS, author = "K. Jankowski", title = "A characterization of pairs of subspaces for quantum chemical applications of the {Galerkin--Petrov} method", journal = j-IJQC, volume = "10", number = "4", pages = "683--697", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaplan:1976:GTC, author = "I. G. Kaplan and O. B. Rodimova", title = "Group theoretical classification of states of a molecular system at definite states of its constituent parts", journal = j-IJQC, volume = "10", number = "4", pages = "699--714", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:ASVb, author = "A. B. Sannigrahi and S. Noor Mohammad", title = "On the applicability of the selected valence electron split-shell method to ionic molecules", journal = j-IJQC, volume = "10", number = "4", pages = "715--715", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Ac, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "10", number = "4", pages = "717--717", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "4", pages = "fmi--fmii", month = jul, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Jakubowski:1976:BOOa, author = "P. Jakubowski", title = "Best optimized one-electron wave functions. {I}. {The} general procedure of optimization", journal = j-IJQC, volume = "10", number = "5", pages = "719--731", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jakubowski:1976:BOOb, author = "P. Jakubowski", title = "Best optimized one-electron wave-functions. {II}. {Isoelectronic} series of {Li}, {Be}, {B}, and {C}", journal = j-IJQC, volume = "10", number = "5", pages = "733--737", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jakubowski:1976:BOOc, author = "P. Jakubowski", title = "Best optimized one-electron wave-functions. {III}. {Direct} examination of optimization effectiveness", journal = j-IJQC, volume = "10", number = "5", pages = "739--742", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jakubowski:1976:BOOd, author = "P. Jakubowski", title = "Best optimized one-electron wave-functions. {IV}. {Ionization} energies of atoms", journal = j-IJQC, volume = "10", number = "5", pages = "743--746", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:TIS, author = "Marek J. W{\'o}jcik", title = "Theory of the infrared spectra of the hydrogen bond in molecular crystals", journal = j-IJQC, volume = "10", number = "5", pages = "747--760", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SEH, author = "Viliam Klimo and Jozef Ti{\v{n}}o", title = "Spin-Extended {Hartree--Fock} calculation for hydrocarbon $\pi$-radicals", journal = j-IJQC, volume = "10", number = "5", pages = "761--769", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:CED, author = "Paolo Lazzeretti and Beniamino Cadioli and Ugo Pincelli", title = "Calculations of electric dipole polarizabilities of polyatomic molecules", journal = j-IJQC, volume = "10", number = "5", pages = "771--780", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Leclerc:1976:HSG, author = "Jean-Claude Leclerc", title = "Hybrid {Slater--Gaussian-type} $1s$ orbitals for the {$^1\Sigma$} ground state of {H$_2$} and {He}", journal = j-IJQC, volume = "10", number = "5", pages = "781--789", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:MET, author = "T. K. Lim", title = "Many-electron theory in the {Waller--Hartree} spin-free method", journal = j-IJQC, volume = "10", number = "5", pages = "791--797", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:HOR, author = "Lawrence L. {Lohr, Jr.}", title = "Hybrid orbitals and the {Runge--Lenz} vector", journal = j-IJQC, volume = "10", number = "5", pages = "799--809", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mohraz:1976:COP, author = "Manijeh Mohraz and Lawrence L. {Lohr, Jr.}", title = "A comparison of orthogonalized plane wave and augmented plane wave methods for calculating photodetachment cross-sections", journal = j-IJQC, volume = "10", number = "5", pages = "811--835", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rudzikas:1976:GSF, author = "Z. B. Rudzikas and J. M. Kaniauskas", title = "Generalized spherical functions in the theory of many-electron atoms", journal = j-IJQC, volume = "10", number = "5", pages = "837--852", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sims:1976:CCH, author = "James S. Sims and Stanley A. Hagstrom and John R. {Rumble, Jr.}", title = "Combined {CI--HY} studies of atomic states. {IV}. {The} four lowest {$^1$S} and four lowest {$^1$P} states of {He} and the lowest {$^1$S} and {$^1$P} states of {H$^{-1}$}", journal = j-IJQC, volume = "10", number = "5", pages = "853--866", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Davison:1976:EBH, author = "Syndey G. Davison and E-Ni Foo", title = "Energy bands of $sp$-hybrid crystals in the many-neighbor approximation", journal = j-IJQC, volume = "10", number = "5", pages = "867--872", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kleindienst:1976:LFV, author = "H. Kleindienst and W. Altmann", title = "{I. Lineare Fehlerminimisierung Ein Verfahren zur Eigenwertberechnung bei Schr{\"o}dinger-Operatoren}. ({German}) [{I}. {Linear} error minimization: a method for the eigenvalue calculation of {Schr{\"o}dinger} operators]", journal = j-IJQC, volume = "10", number = "5", pages = "873--885", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "German", onlinedate = "19 Oct 2004", } @Article{Kleindienst:1976:IEB, author = "H. Kleindienst and E. Baumgarten and W. Altmann", title = "{II}. {Eigenwertberechnung} beim {Dreik{\"o}rperproblem}. ({German}) [{II}. {Eigenvalue} calculation in the two-body problem]", journal = j-IJQC, volume = "10", number = "5", pages = "887--899", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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 = "German", onlinedate = "19 Oct 2004", } @Article{Lochmann:1976:CCU, author = "R. Lochmann", title = "Crystal calculation using the {PCILO} method", journal = j-IJQC, volume = "10", number = "5", pages = "901--908", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:CII, author = "R. Lochmann and T. Weller", title = "Calculation of intermolecular interactions within the {PCILO} framework", journal = j-IJQC, volume = "10", number = "5", pages = "909--916", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100519", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Toyota:1976:IHF, author = "A. Toyota and T. Tanaka and T. Nakajima", title = "The instabilities of the {Hartree--Fock} solutions and the lattice instabilities for conjugated hydrocarbons: {The} bond-order and bond-length alternations", journal = j-IJQC, volume = "10", number = "5", pages = "917--935", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100520", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "5", pages = "fmi--fmii", month = sep, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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:1976:SCP, author = "E. S. Kryachko and Yu. A. Kruglyak", title = "On the solution of the {$N$}-completeness problem", journal = j-IJQC, volume = "10", number = "6", pages = "937--940", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuprievich:1976:CSO, author = "V. A. Kuprievich and V. E. Klymenko", title = "Computation scheme for optimizing multiconfigurational wave-functions", journal = j-IJQC, volume = "10", number = "6", pages = "941--949", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:GFO, author = "W. Witschel", title = "Generating functions for oscillator matrix elements", journal = j-IJQC, volume = "10", number = "6", pages = "951--954", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aldrich:1976:RMA, author = "Haven S. Aldrich and John Aiken and L. Chopin Cusachs", title = "Radial moment analysis of isovalent hybridization in {N$_2$}", journal = j-IJQC, volume = "10", number = "6", pages = "955--960", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:CDD, author = "I. Mayer and M. Kert{\'e}sz", title = "A comparison of different {DODS} methods when the number of electrons increases", journal = j-IJQC, volume = "10", number = "6", pages = "961--966", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:ACE, author = "J. Patrick Tatum", title = "Angular correlation of electrons in the ground state of helium", journal = j-IJQC, volume = "10", number = "6", pages = "967--974", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gopinathan:1976:HTS, author = "M. S. Gopinathan", title = "On the hypervirial theorem and the scaling problem", journal = j-IJQC, volume = "10", number = "6", pages = "975--983", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Behling:1976:ULB, author = "R. Behling and A. Bongers and T. K{\"u}pper", title = "Upper and lower bounds to critical values of the {Hartree} operator", journal = j-IJQC, volume = "10", number = "6", pages = "985--992", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:MOI, author = "V. Kothekar", title = "Molecular orbital interpretation of isomer shifts and quadrupole splitting of the {M{\"o}ssbauer} $\gamma$-line in the compounds of antimony and tin", journal = j-IJQC, volume = "10", number = "6", pages = "993--1005", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beebe:1976:SFS, author = "Nelson H. F. Beebe", title = "On the Symmetry of Filled Shells", journal = j-IJQC, volume = "10", number = "6", pages = "1007--1010", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe.bib; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:SCS, author = "N. Moiseyev and J. Katriel", title = "Stability, continuity, and symmetry of variational wave-functions", journal = j-IJQC, volume = "10", number = "6", pages = "1011--1023", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hendekovic:1976:CMO, author = "Josip Hendekovi{\'c}", title = "Complex molecular orbital method: {Open}-shell theory", journal = j-IJQC, volume = "10", number = "6", pages = "1025--1035", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:HAM, author = "Andre Julg and Francis Marinelli", title = "Halog{\'e}nures alcalins: un mod{\`e}le incluant une d{\'e}localisation {\`a} courte distance: application {\`a} la stabilit{\'e} relative des divers arrangements cristallins. ({French}) [{Alkali} halides: a model with a short delocalization distance: application to the relative stability of various crystalline arrangements]", journal = j-IJQC, volume = "10", number = "6", pages = "1037--1047", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Leopold:1976:SLC, author = "J. G. Leopold and M. Cohen and J. Katriel", title = "A study of {L{\"o}wdin}'s criterion for completeness of basis sets", journal = j-IJQC, volume = "10", number = "6", pages = "1049--1056", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", abstract = "L{\"o}wdin has formulated a useful criterion for testing the completeness of an expansion basis set. From this criterion one may obtain an incompleteness coefficient for a truncated (finite) basis set. We have investigated the significance of this incompleteness coefficient for some of the basis sets we have used in our recent calculations of bounds to quantum mechanical properties. The similarity of the convergence properties between our bounds and the incompleteness coefficient suggests that L{\"o}wdin's criterion is likely to be useful in practice.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Raimondi:1976:OPV, author = "Mario Raimondi and Massimo Simonetta", title = "The orthogonality problem in valence bond calculations", journal = j-IJQC, volume = "10", number = "6", pages = "1057--1059", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Meunier:1976:PMC, author = "A. Meunier and B. Levy and G. Berthier", title = "The {N$^2$} problem in molecular {CI} calculations", journal = j-IJQC, volume = "10", number = "6", pages = "1061--1070", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:EEH, author = "A. G. Ritchie", title = "Electronic energies of the hydrogen molecule {D$^\prime \Pi_u$} and {B$^{\prime\prime} \Sigma$} states", journal = j-IJQC, volume = "10", number = "6", pages = "1071--1073", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:ETC, author = "R. R. Sharma", title = "Evaluations of two-center integrals using $\alpha$-functions", journal = j-IJQC, volume = "10", number = "6", pages = "1075--1076", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Muftakhova:1976:CES, author = "F. I. Muftakhova", title = "On calculation of energy states of polyatomic molecules and clusters in a solid", journal = j-IJQC, volume = "10", number = "6", pages = "1077--1079", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{DeAViccaro:1976:SPL, author = "M. H. {De A. Viccaro}", title = "Symmetry property of {L{\"o}wdin}'s ``alpha'' function", journal = j-IJQC, volume = "10", number = "6", pages = "1081--1082", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100621", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:TRS, author = "J. Vojt{\'\i}k and J. Fi{\v{s}}er", title = "Time reversal and spin-adapted wave-functions", journal = j-IJQC, volume = "10", number = "6", pages = "1083--1085", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100622", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lo:1976:CAF, author = "B. W. N. Lo and Y. A. Ang", title = "Calculation of the {$G(a)$} auxiliary function in {Gaussian} orbit--orbit integrals", journal = j-IJQC, volume = "10", number = "6", pages = "1087--1088", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100623", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Ad, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "10", number = "6", pages = "1089--1090", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100624", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1976:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "6", pages = "fmi--fmii", month = nov, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:19 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Marston:1976:WR, author = "President Robert Q. Marston", title = "Welcoming remarks", journal = j-IJQC, volume = "10", number = "S3", pages = "1--1", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Laki:1976:TYG, author = "K. Laki", title = "Twenty years a-growing with {Albert Szent-Gy{\"o}rgyi}", journal = j-IJQC, volume = "10", number = "S3", pages = "3--5", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Szent-Gyorgyi:1976:SRM, author = "Albert Szent-Gy{\"o}rgyi", title = "Some reminiscences of my life as a scientist", journal = j-IJQC, volume = "10", number = "S3", pages = "7--12", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Renugopalakrishnan:1976:CEC, author = "V. Renugopalakrishnan and D. W. Urry", title = "Conformational energy calculations demonstrating the $\beta$ turn and other secondary structural features in the repeat pentapeptide of elastin", journal = j-IJQC, volume = "10", number = "S3", pages = "13--19", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Eisenstein:1976:MTH, author = "Laura Eisenstein", title = "Molecular tunneling in heme proteins", journal = j-IJQC, volume = "10", number = "S3", pages = "21--27", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1976:QMS, author = "B. Pullman and P. H. Courriere", title = "Quantum-mechanical studies on the conformation of sphingomyelins", journal = j-IJQC, volume = "10", number = "S3", pages = "29--38", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Seybold:1976:WTF, author = "Paul G. Seybold", title = "Why are there four bases in {DNA?}", journal = j-IJQC, volume = "10", number = "S3", pages = "39--43", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Szent-Gyorgyi:1976:ETC, author = "Albert Szent-Gy{\"o}rgyi", title = "The electronic theory of cancer", journal = j-IJQC, volume = "10", number = "S3", pages = "45--50", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Laki:1976:NET, author = "Koloman Laki and J{\`a}nos Ladik", title = "A note on the ``electronic theory'' of cancer", journal = j-IJQC, volume = "10", number = "S3", pages = "51--57", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Abdulnur:1976:IGP, author = "S. F. Abdulnur", title = "The interactions of glyoxals with proteins and {DNA} in relation to cancer", journal = j-IJQC, volume = "10", number = "S3", pages = "59--64", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Enoch:1976:VPO, author = "Jay M. Enoch", title = "Vertebrate photoreceptor orientation", journal = j-IJQC, volume = "10", number = "S3", pages = "65--88", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Chin:1976:CAE, author = "Chen-An Chin and Pill-Soon Song", title = "Configuration analysis of the electronic excitation in photobiological receptors", journal = j-IJQC, volume = "10", number = "S3", pages = "89--98", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weintraub:1976:CAP, author = "H. J. R. Weintraub and M.-D. Tsai and S. R. Byrn and C.-J. Chang and H. G. Floss", title = "Conformational analysis of pyridoxal amino acid {Schiff}'s bases", journal = j-IJQC, volume = "10", number = "S3", pages = "99--105", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Urry:1976:NPC, author = "D. W. Urry and M. M. Long and L. W. Mitchell", title = "New polypeptide conformations and their roles in molecular diseases of the vascular wall", journal = j-IJQC, volume = "10", number = "S3", pages = "107--118", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Oie:1976:ICL, author = "Tetsuro Oie and Gerald M. Maggiora and Ralph E. Christoffersen", title = "Ab initio calculations on large molecules using molecular fragments: {Comparison} of charge distribution and molecular electrostatic potential for ethyl chlorophyllide a and related molecules", journal = j-IJQC, volume = "10", number = "S3", pages = "119--133", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weinstein:1976:RCL, author = "Harel Weinstein and David Chou and Sungzong Kang and Carl Lynn Johnson and Jack Peter Green", title = "Reactivity characteristics of large molecules and their biological activity: {Indolealkylamines} on the {LSD\slash serotonin} receptor", journal = j-IJQC, volume = "10", number = "S3", pages = "135--150", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Colbow:1976:ETP, author = "Konrad Colbow and R. P. Dunyluk", title = "Energy transfer in photosynthesis", journal = j-IJQC, volume = "10", number = "S3", pages = "151--159", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kleier:1976:COS, author = "Daniel A. Kleier and Steve Scheiner and William N. Lipscomb", title = "Comments on orbital steering", journal = j-IJQC, volume = "10", number = "S3", pages = "161--169", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davies:1976:HBP, author = "R. H. Davies and R. D. Bagnall and W. Bell and W. G. M. Jones", title = "The hydrogen bond proton donor properties of volatile halogenated hydrocarbons and ethers and their mode of action in anaesthesia", journal = j-IJQC, volume = "10", number = "S3", pages = "171--185", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1976:MND, author = "Joyce J. Kaufman", title = "Molecular neurotransmitter disorders --- theoretical and chemicophysical approach to their understanding and treatment", journal = j-IJQC, volume = "10", number = "S3", pages = "187--215", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gabbay:1976:RAS, author = "Edmond J. Gabbay", title = "A rational approach to the synthesis of template inhibitory antitumor drugs", journal = j-IJQC, volume = "10", number = "S3", pages = "217--229", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bradford:1976:EVS, author = "E. G. Bradford and Paul Westhaus", title = "Effective valence-shell {Hamiltonians} generated by canonical transformations", journal = j-IJQC, volume = "10", number = "S3", pages = "231--236", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1976:EBS, author = "J{\'a}nos Ladik", title = "Energy-band structure and charge transfer in biopolymers", journal = j-IJQC, volume = "10", number = "S3", pages = "237--246", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bass:1976:IIR, author = "George E. Bass and James E. Chenevey", title = "Irradiation induced rate enhancements for the {LDH}-pyruvate reaction", journal = j-IJQC, volume = "10", number = "S3", pages = "247--250", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1976:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "S3", pages = "fmi--fmi", day = "12--14", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:38 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "18 Jun 2009", } @Article{Pople:1976:TMI, author = "John A. Pople and J. Stephen Binkley and Rolf Seeger", title = "Theoretical models incorporating electron correlation", journal = j-IJQC, volume = "10", number = "S10", pages = "1--19", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davidson:1976:SME, author = "Ernest R. Davidson and Larilyn Zeller Stenkamp", title = "{SCF} methods for excited states", journal = j-IJQC, volume = "10", number = "S10", pages = "21--31", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Shavitt:1976:CCI, author = "Isaiah Shavitt and Bruce J. Rosenberg and Surat Palalikit", title = "Comparison of configuration interaction expansions based on different orbital transformations", journal = j-IJQC, volume = "10", number = "S10", pages = "33--46", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See erratum \cite{Shavitt:1977:ECC}. Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Popkie:1976:MCM, author = "Herbert E. Popkie and Joyce J. Kaufman", title = "Molecular Calculations with the {MODPOT}, {VRDO}, and {MODPOT\slash VRDO} Procedures {I}. {HF}, {F$_2$}, {HCl}, {Cl$_2$}, Formamide, Pyrrole, Pyridine, and Nitrobenzene", journal = j-IJQC, volume = "10", number = "S10", pages = "47--57", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1976:CLI, author = "A. Pullman and H. Berthod and N. Gresh", title = "Cation-ligand interactions: ab initio {SCF} studies of the binding properties of alkali, alkaline-earth, and ammonium ions", journal = j-IJQC, volume = "10", number = "S10", pages = "59--76", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pendergast:1976:MSQ, author = "Phil Pendergast and Edward F. Hayes and Richard C. Liedtke and Maurice E. Schwartz and Stephen Rothenberg and Peter A. Kollman", title = "{MOLE}: {A} system for quantum chemistry. {II}. Recent developments", journal = j-IJQC, volume = "10", number = "S10", pages = "77--83", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Thomson:1976:ESU, author = "Colin Thomson", title = "The electronic structure of unstable intermediates. {VI}. the electronic structure of {AlCN}, {AlNC}, {PCN}, and {PNC} and comparison with their 1st-row analogues", journal = j-IJQC, volume = "10", number = "S10", pages = "85--90", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Schwarz:1976:MWF, author = "W. H. E. Schwarz and T. C. Chang", title = "Multiconfiguration wave functions for highly excited states by the {Generalized Brillouin Theorem} method", journal = j-IJQC, volume = "10", number = "S10", pages = "91--97", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Andre:1976:FSG, author = "J. M. Andr{\'e} and J. Delhalle and C. Demanet and M. E. Lambert-Gerard", title = "A floating spherical {Gaussian} orbital model for polymers: {I}. General formalism and computational procedure", journal = j-IJQC, volume = "10", number = "S10", pages = "99--105", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Michl:1976:ESR, author = "Josef Michl", title = "$\pi$-Electron systems: {Recent} developments in electronic spectroscopy and the {PPP} model", journal = j-IJQC, volume = "10", number = "S10", pages = "107--117", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Beck:1976:TCE, author = "Donald R. Beck and Cleanthes A. Nicolaides", title = "Theory and calculation of excited-state wave functions and properties", journal = j-IJQC, volume = "10", number = "S10", pages = "119--134", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Green:1976:SOA, author = "A. E. S. Green and G. J. Kutcher", title = "Some observations on atomic independent-particle models", journal = j-IJQC, volume = "10", number = "S10", pages = "135--140", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1976:ROS, author = "J. C. Slater and J. W. D. Connolly", title = "Remarks on the overlapping-sphere method for molecular orbitals", journal = j-IJQC, volume = "10", number = "S10", pages = "141--146", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Johnson:1976:RAS, author = "K. H. Johnson and R. P. Messmer", title = "Recent applications of the {SCF--X$\alpha$} scattered-wave method to systems of catalytic and biocatalytic importance", journal = j-IJQC, volume = "10", number = "S10", pages = "147--153", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sambe:1976:CBX, author = "Hideo Sambe and Ronald H. Felton", title = "Connection between the {X$\alpha$} method and ligand field theory", journal = j-IJQC, volume = "10", number = "S10", pages = "155--158", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Yang:1976:TAS, author = "Cary Y. Yang and K. H. Johnson", title = "Truncated-atomic-sphere model and overlapping-sphere corrections in the {SCF--X$\alpha$} scattered-wave method", journal = j-IJQC, volume = "10", number = "S10", pages = "159--165", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Herman:1976:OCD, author = "F. Herman and W. E. Rudge and I. P. Batra and B. I. Bennett", title = "Orbital charge distributions for the {TCNQ} and {TTF} molecules", journal = j-IJQC, volume = "10", number = "S10", pages = "167--181", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Messmer:1976:RAS, author = "R. P. Messmer and D. R. Salahub", title = "Recent applications of the {SCF--X$\alpha$--SW} method to some inorganic systems", journal = j-IJQC, volume = "10", number = "S10", pages = "183--191", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Li:1976:CDM, author = "C. H. Li", title = "Calculation of dipole moments for diatomic molecules with multiple-scattering {X$\alpha$} wave functions", journal = j-IJQC, volume = "10", number = "S10", pages = "193--202", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weislinger:1976:NTD, author = "Edmond Weislinger", title = "Nonadditive triple-dipole interaction in {D$_{3h}$} configuration by variational method: {Results} of a hard-sphere model and a confined model", journal = j-IJQC, volume = "10", number = "S10", pages = "203--212", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Mintmire:1976:IPS, author = "John W. Mintmire and John R. Sabin", title = "Intermolecular potential studies of hydrogen-molecule interactions with rare-gas atoms", journal = j-IJQC, volume = "10", number = "S10", pages = "213--221", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Stwalley:1976:RPL, author = "William C. Stwalley and Warren T. Zemke", title = "The radiative properties of long-range molecules", journal = j-IJQC, volume = "10", number = "S10", pages = "223--225", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Morovic:1976:PNQ, author = "T. Morovi{\'c} and B. Fricke and A. Ros{\'e}n and D. E. Ellis", title = "The problem of noncharacteristic quasimolecular {X}-rays in heavy ion collision", journal = j-IJQC, volume = "10", number = "S10", pages = "227--230", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Blum:1976:CIE, author = "K. Blum and H. Kleinpoppen", title = "Coherent and incoherent excitation of atoms by electron impact", journal = j-IJQC, volume = "10", number = "S10", pages = "231--238", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Truhlar:1976:QPF, author = "Donald G. Truhlar", title = "Quasiclassical predictions of final vibrational state distributions in reactive and nonreactive collisions", journal = j-IJQC, volume = "10", number = "S10", pages = "239--250", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Chen:1976:EAI, author = "Joseph C. Y. Chen and Yim Tin Lee", title = "Eikonal approximation for intermediate-energy atomic collisions", journal = j-IJQC, volume = "10", number = "S10", pages = "251--258", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Micha:1976:OFR, author = "David A. Micha", title = "Operator formalisms of reactive molecular scattering", journal = j-IJQC, volume = "10", number = "S10", pages = "259--266", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Bernstein:1976:ITA, author = "R. B. Bernstein", title = "Information-theoretic analysis of rotational distributions from quantal and quasiclassical computations of reactive and nonreactive scattering", journal = j-IJQC, volume = "10", number = "S10", pages = "267--276", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Buchler:1976:CSD, author = "Jean-Robert Buchler and William R. Yueh", title = "{Compton} scattering in a degenerate electron gas", journal = j-IJQC, volume = "10", number = "S10", pages = "277--282", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kunz:1976:AHS, author = "A. Barry Kunz and M. P. Guse and R. J. Blint", title = "On the adsorption of hydrogen by supported transition-metal catalysts and {MgO}", journal = j-IJQC, volume = "10", number = "S10", pages = "283--288", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Danese:1976:CBC, author = "J. B. Danese and J. R. Schrieffer", title = "Chemisorption bonding and catalysis", journal = j-IJQC, volume = "10", number = "S10", pages = "289--295", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Liberman:1976:ESM, author = "David A. Liberman", title = "Equation of state of molecular hydrogen at high pressure", journal = j-IJQC, volume = "10", number = "S10", pages = "297--303", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Csavinszky:1976:VPP, author = "P. Csavinszky", title = "A variational principle for the potential of impurity ions in semiconductors with spatially variable dielectric constants", journal = j-IJQC, volume = "10", number = "S10", pages = "305--311", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Yang:1976:HEL, author = "Cary Y. Yang and Sohrab Rabii", title = "Hydrogen effect in lead selenide", journal = j-IJQC, volume = "10", number = "S10", pages = "313--318", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Absar:1976:RHO, author = "Ilyas Absar and A. J. Coleman", title = "Reduced {Hamiltonian} orbitals. {I}. {A} new approach to the many-electron problem", journal = j-IJQC, volume = "10", number = "S10", pages = "319--330", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kurtz:1976:CAE, author = "Henry Kurtz and George Purvis and Yngve {\"O}hrn", title = "Calculation of the amplitudes to the electron propagator from a minimal basis {CI} calculation on {N$_2$}", journal = j-IJQC, volume = "10", number = "S10", pages = "331--336", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Langhoff:1976:BGF, author = "P. W. Langhoff and A. J. Hernandez", title = "On the {Brueckner} and {Goldstone} forms of the linked-cluster theorem", journal = j-IJQC, volume = "10", number = "S10", pages = "337--351", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Froelich:1976:CRW, author = "Piotr Froelich and Erkki Br{\"a}ndas", title = "Calculation of resonance widths via {$L^2$} expansion techniques", journal = j-IJQC, volume = "10", number = "S10", pages = "353--357", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Reinhardt:1976:MCC, author = "William P. Reinhardt", title = "Method of complex coordinates: application to the {Stark} effect in hydrogen", journal = j-IJQC, volume = "10", number = "S10", pages = "359--367", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Day:1976:MMT, author = "Orville W. Day and George S. Handler", title = "Multipole moments in {Thomas--Fermi} theory", journal = j-IJQC, volume = "10", number = "S10", pages = "369--373", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Schieve:1976:GEP, author = "W. C. Schieve", title = "Generalized entropy: {Its} properties", journal = j-IJQC, volume = "10", number = "S10", pages = "375--382", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Zunger:1976:CFT, author = "A. Zunger and A. J. Freeman", title = "Combined {Fourier} transform and discrete variational method approach to the self-consistent solution of the electronic band structure problem within the local density formalism", journal = j-IJQC, volume = "10", number = "S10", pages = "383--403", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Faulkner:1976:ESD, author = "J. S. Faulkner", title = "Electronic states in disordered alloys. {II}. Results for real solids", journal = j-IJQC, volume = "10", number = "S10", pages = "405--415", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brandow:1976:TMI, author = "B. H. Brandow", title = "Theory of {Mott} insulators", journal = j-IJQC, volume = "10", number = "S10", pages = "417--434", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Matthias:1976:SSS, author = "Bernd T. Matthias", title = "Symmetries of superconducting sulfides", journal = j-IJQC, volume = "10", number = "S10", pages = "435--436", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1976:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "10", number = "S10", pages = "iv--iv", day = "19--24", month = jan, year = "1976", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560100801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 08:46:39 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "18 Jun 2009", } @Article{Stepanov:1977:EMI, author = "Nikolaj F. Stepanov and Vladimir I. Pupyshev", title = "Errors in molecular integrals: {An} influence on {RHF} energy values", journal = j-IJQC, volume = "11", number = "1", pages = "1--15", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:GEC, author = "C. L. Roy and S. K. Tripathy", title = "Generalized existence conditions for surface states of a semi-infinite {Kronig--Penney} crystal", journal = j-IJQC, volume = "11", number = "1", pages = "17--20", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CHC, author = "T. Kwiatkowski and S. Olszewski and A. Wierzbicki", title = "Cubic harmonics in {Cartesian} coordinates", journal = j-IJQC, volume = "11", number = "1", pages = "21--47", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Porta:1977:MHC, author = "Jordi Porta", title = "A model for the helix--coil transition of {DNA}", journal = j-IJQC, volume = "11", number = "1", pages = "49--57", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Javor:1977:RLE, author = "Frank Javor and Gerald F. Thomas and Stuart M. Rothstein", title = "Reduced local energy as a criterion for the accuracy of approximate {H$_2$} wave-functions", journal = j-IJQC, volume = "11", number = "1", pages = "59--71", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{So:1977:TSV, author = "S. P. So and W. G. Richards", title = "A theoretical study of the vibrational structure in the transition of {PH$_2$}", journal = j-IJQC, volume = "11", number = "1", pages = "73--79", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stuebing:1977:DAM, author = "Edward W. Stuebing and John H. Weare and Robert G. Parr", title = "Discontinuous approximate molecular electronic wave-functions", journal = j-IJQC, volume = "11", number = "1", pages = "81--102", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Walker:1977:QMT, author = "Evan Harris Walker", title = "Quantum mechanical tunneling in synaptic and ephaptic transmission", journal = j-IJQC, volume = "11", number = "1", pages = "103--127", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hameka:1977:VMC, author = "Hendrik F. Hameka and E. N{\o}rby Svendsen", title = "A variational method for calculating dynamic polarizabilities", journal = j-IJQC, volume = "11", number = "1", pages = "129--135", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:RBS, author = "R. Daudel and J. D. Goddard and I. G. Csizmadia", title = "A relationship between the sizes and energies of localized molecular orbitals. {I}. {A} study of selected first-row hydrides", journal = j-IJQC, volume = "11", number = "1", pages = "137--147", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Selsby:1977:SEMa, author = "R. G. Selsby and C. Machin and M. L. Hernandez", title = "A semi-empirical {MO} theory for ionization potentials and electron affinities", journal = j-IJQC, volume = "11", number = "1", pages = "149--161", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Yonei:1977:ATF, author = "K. Yonei and J. Goodisman", title = "Accurate {Thomas--Fermi--Dirac} calculations for diatomic systems", journal = j-IJQC, volume = "11", number = "1", pages = "163--178", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Memory:1977:SCR, author = "J. D. Memory", title = "A suggestion concerning the role of the {L}-region in carcinogenesis by polycyclic hydrocarbons", journal = j-IJQC, volume = "11", number = "1", pages = "179--179", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CPN, author = "Joyce J. Kaufman and Ellen Kerman", title = "Conformational profile of nalorphine by {PCILO} calculations", journal = j-IJQC, volume = "11", number = "1", pages = "181--184", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Caldwell:1977:BRB, author = "Dennis Caldwell", title = "Book Review: {{\booktitle{Theory of orientation and stereoselection}}. Author: Kenichi Fukui. Published by: Springer-Verlag, Berlin-Heidelberg-New York, 1975. Price: \$18.10. No. of pages: 134}", journal = j-IJQC, volume = "11", number = "1", pages = "185--185", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Fukui:1970:OST,Fukui:1975:TOS}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Aa, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "11", number = "1", pages = "187--187", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "11", number = "1", pages = "fmi--fmii", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{McIntosh:1977:LDS, author = "Harold V. McIntosh and Michael Hehenberger and Rodolfo Reyes-Sanchez", title = "Lattice dynamics with second-neighbor interactions. {III}. {Green}'s matrix", journal = j-IJQC, volume = "11", number = "2", pages = "189--211", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Liakus:1977:DSC, author = "A. Liakus and G. A. Gallup", title = "A double self-consistent-field method for electron correlation: {Applications} to {LiH}, {H$_2$O}, and cyclopropane", journal = j-IJQC, volume = "11", number = "2", pages = "213--231", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jaszunski:1977:ATC, author = "Michal Jaszu{\'n}ski and Andrzej J. Sadlej", title = "Analytic techniques for the coupled multiconfiguration {SCF} perturbation theory", journal = j-IJQC, volume = "11", number = "2", pages = "233--245", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chalasinski:1977:CPR, author = "Grzegorz Cha{\l}asi{\'n}ski and Bogumi{\l} Jeziorski and Krzysztof Szalewicz", title = "On the convergence properties of the {Rayleigh--Schr{\"o}dinger} and the {Hirschfelder--Silbey} perturbation expansions for molecular interaction energies", journal = j-IJQC, volume = "11", number = "2", pages = "247--257", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:MLC, author = "J. Fabian and G. Tr{\"o}ger-Naake", title = "{MO--LCAO}-calculations on polymethines. {V}. {PPP}-type calculations and configuration analyses of simple prototype dyes in terms of molecular subsystems", journal = j-IJQC, volume = "11", number = "2", pages = "259--269", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:ECE, author = "R. Carb{\'o} and J. M. Fornos and J. A. Hern{\'a}ndez and F. Sanz", title = "Electrostatic corrections to extended {H{\"u}ckel} theory", journal = j-IJQC, volume = "11", number = "2", pages = "271--276", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lathouwers:1977:PIB, author = "Luc Lathouwers", title = "{Parseval}'s identity for biorthonormal systems", journal = j-IJQC, volume = "11", number = "2", pages = "277--281", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Howat:1977:GAM, author = "G. Howat and M. Trsic and O. Goscinski", title = "Geometric approximation for molecular polarizabiities", journal = j-IJQC, volume = "11", number = "2", pages = "283--292", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CII, author = "R. Lochmann", title = "Calculation of intermolecular interactions within the {PCILO} framework using fixed wave-functions", journal = j-IJQC, volume = "11", number = "2", pages = "293--300", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hardisson:1977:IDT, author = "A. Hardisson and R. Lefebvre and F. Mauricio and S. Velasco", title = "The interference in the decay of two {$\frac{1}{2}$} spins in a molecular medium, studied by the {Nakajima--Zwanzig} technique", journal = j-IJQC, volume = "11", number = "2", pages = "301--315", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:BSI, author = "H. {\AA}gren and S. Svensson and U. I. Wahlgren", title = "A basis set investigation for the oxygen 1s ionization potential in {H$_2$O}", journal = j-IJQC, volume = "11", number = "2", pages = "317--324", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blakemore:1977:NIS, author = "M. Blakemore and G. A. Evans and J. Hyslop", title = "A numerical integration scheme for iterative calculations on atomic systems", journal = j-IJQC, volume = "11", number = "2", pages = "325--339", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:RDA, author = "T. K. Lim", title = "The role of double antisymmetrization", journal = j-IJQC, volume = "11", number = "2", pages = "341--348", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CED, author = "J. Delhalle and S. Delhalle", title = "Computation of the electronic density of states distributions of stereoregular polymers", journal = j-IJQC, volume = "11", number = "2", pages = "349--358", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CGC, author = "M. R. Kibler and G. Grenet", title = "{Clebsch--Gordan} coefficients for chains of groups of interest in quantum chemistry. {II}. {The} chain {${\rm SU}(2) \supset D^\prime_\infty \supset D^\prime_4 \supset D^\prime_2$}", journal = j-IJQC, volume = "11", number = "2", pages = "359--379", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ab, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "11", number = "2", pages = "380--380", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "11", number = "2", pages = "fmi--fmii", month = feb, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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:1977:EQD, author = "C. Duprez-Quesnoit", title = "Etude {Quantique} du {Pouvoir Rotatoire Naturel} et de la {Bir{\'e}fringence Gyrotropique} dans un {Cristal}", journal = j-IJQC, volume = "11", number = "3", pages = "381--391", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:SGW, author = "T. K. Lim", title = "The symmetric groups and the {Waller--Hartree} spin-free method", journal = j-IJQC, volume = "11", number = "3", pages = "393--398", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:GTR, author = "Thomas D. Bouman and Charles D. Duncan and Carl Trindle", title = "Group theory and reaction mechanisms: {Permutation} theoretic prediction and computational support for pseudorotation modes in {C$_2$H} and {C$_5$H} rearrangements", journal = j-IJQC, volume = "11", number = "3", pages = "399--413", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:UGL, author = "M. Sanchez and R. Daudel and P. D. Dacre and R. McWeeny and S. Kwun and C. Valdemoro", title = "Using group (or {Loge}) functions to explore the transferability of chemical bonds", journal = j-IJQC, volume = "11", number = "3", pages = "415--425", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:PCC, author = "R. Lochmann and H.-J. Hofmann", title = "{PCILO} {Calculations} on charge transfer complexes", journal = j-IJQC, volume = "11", number = "3", pages = "427--433", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rastogi:1977:FSG, author = "R. C. Rastogi and N. K. Ray", title = "The floating spherical {Gaussian} orbital model and shape of {B$_2$H$_5$} ion", journal = j-IJQC, volume = "11", number = "3", pages = "435--440", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:EEG, author = "Roy Kari and Imre G. Csizmadia", title = "The energetic effects of $p$, $d$, and $f$ {Gaussian} polarization functions on closed-shell {AH$_n$} oxygen and sulfur hydrides", journal = j-IJQC, volume = "11", number = "3", pages = "441--450", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hadinger:1977:MET, author = "G. Hadinger and N. Bessis and G. Bessis", title = "Matrix elements and their selection rules from ladder operator considerations", journal = j-IJQC, volume = "11", number = "3", pages = "451--472", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:EEH, author = "O. Tapia and E. Poulain", title = "Environmental effects on hydrogen bonded systems: {A} quantum chemical study of proton relay model systems", journal = j-IJQC, volume = "11", number = "3", pages = "473--484", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:SCT, author = "Joyce J. Kaufman and Walter S. Koski and David Peat", title = "A systems and control theoretic approach to dynamic neurotransmitter balance: {Normal}, abnormal, and ``catastrophic''", journal = j-IJQC, volume = "11", number = "3", pages = "485--503", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Koutecky:1977:SQS, author = "Jaroslav Kouteck{\'y} and Alexandre Laforgue", title = "Second quantization for systems with a constant number of particles in the {Dirac} notation", journal = j-IJQC, volume = "11", number = "3", pages = "505--523", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ac, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "11", number = "3", pages = "524--524", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "11", number = "3", pages = "fmi--fmii", month = mar, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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:1977:MOP, author = "Sambhu Datta and F. S. Richardson", title = "Magneto-optical properties of a spinless particle moving in a harmonic potential", journal = j-IJQC, volume = "11", number = "4", pages = "525--542", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bersuker:1977:SQS, author = "I. B. Bersuker and S. S. Budnikov and B. A. Leizerov", title = "Semi-quantitative and semi-empirical versions in the quasi-relativistic {SCF--MO--LCAO} methods: {Numerical} calculations for {(PtCl$_6$)$^{2-}$}", journal = j-IJQC, volume = "11", number = "4", pages = "543--559", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schmelzer:1977:ESH, author = "A. Schmelzer", title = "Equivalent spherical harmonics", journal = j-IJQC, volume = "11", number = "4", pages = "561--576", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:PSR, author = "Eugene S. Kryachko", title = "Permutational symmetry of reduced density matrices", journal = j-IJQC, volume = "11", number = "4", pages = "577--589", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Schug:1977:CME, author = "John C. Schug and Byron H. Lengsfield and Dana A. Brewer", title = "Calculation of molecular electronic spectra by projected-unrestricted {Hartree--Fock} theory", journal = j-IJQC, volume = "11", number = "4", pages = "591--604", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weltin:1977:DME, author = "E. E. Weltin", title = "Direct minimization of the energy by simultaneous variation of parameters in nonorthogonal basis functions. {II}. {Real STOS} for first row atoms", journal = j-IJQC, volume = "11", number = "4", pages = "605--611", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dupuis:1977:MSC, author = "Michel Dupuis and Harry F. King", title = "Molecular symmetry and closed-shell {SCF} calculations. {I}", journal = j-IJQC, volume = "11", number = "4", pages = "613--625", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Trindle:1977:NME, author = "C. Trindle and S. N. Datta and T. D. Bouman", title = "Nonrigid molecule effects on the energy levels of {XeF$_6$}", journal = j-IJQC, volume = "11", number = "4", pages = "627--664", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:TLP, author = "R. Daudel and M. E. Stephens and I. G. Csizmadia and C. Kozmutza and E. Kapuy and J. D. Goddard", title = "Theory of lone pairs. {II}. {A} moment analysis of localized molecular orbitals in ten-electron hydrides", journal = j-IJQC, volume = "11", number = "4", pages = "665--683", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Chandler:1977:HST, author = "G. S. Chandler", title = "{Hulth{\'e}n} and {Slater} type $2d$ functions in some excited configurations of sulphur and phosphorus", journal = j-IJQC, volume = "11", number = "4", pages = "685--694", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Toivonen:1977:RMO, author = "H. T. Toivonen and P. Pyykk{\"o}", title = "Relativistic molecular orbitals for the double group {D$_{3h}$}", journal = j-IJQC, volume = "11", number = "4", pages = "695--700", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pullman:1977:E, author = "A. Pullman and A-M. Armbruster", title = "Erratum", journal = j-IJQC, volume = "11", number = "4", pages = "701--701", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ad, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "11", number = "4", pages = "703--703", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ae, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "11", number = "4", pages = "704--704", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "11", number = "4", pages = "fmi--fmii", month = apr, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Figeys:1977:RII, author = "H. P. Figeys and P. Geerlings and C. {Van Alsenoy}", title = "Rotational invariance of {INDO} theories including $d$-orbitals into the basis set", journal = j-IJQC, volume = "11", number = "5", pages = "705--713", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:ASL, author = "Eduardo V. Lude{\~n}a", title = "Atomic {SCF} loge localized wave functions", journal = j-IJQC, volume = "11", number = "5", pages = "715--723", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guse:1977:PEC, author = "M. P. Guse and R. J. Blint and A. B. Kunz", title = "Potential energy curves for {NiH} and {NiH$_2$}", journal = j-IJQC, volume = "11", number = "5", pages = "725--732", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Haley:1977:CME, author = "Lawrence V. Haley and Hendrik F. Hameka", title = "Calculation of molecular electric polarizabilities and dipole moments. {II}. {The LiH} molecule", journal = j-IJQC, volume = "11", number = "5", pages = "733--741", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Thunemann:1977:SCI, author = "K. H. Thunemann and J. R{\"o}melt and S. D. Peyerimhoff and R. J. Buenker", title = "A study of the convergence in iterative natural orbital procedures", journal = j-IJQC, volume = "11", number = "5", pages = "743--752", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:AMC, author = "K. K. Sharma", title = "Additivity model for calculations of {UHF} spin densities and charge densities in some methyl-substituted radical anions", journal = j-IJQC, volume = "11", number = "5", pages = "753--758", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mathur:1977:TPT, author = "S. C. Mathur and D. C. Singh and B. Kumar and S. Mitra", title = "Two-parameter $\omega$-technique for {MO} calculations", journal = j-IJQC, volume = "11", number = "5", pages = "759--766", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hinchliffe:1977:ESP, author = "Alan Hinchliffe", title = "The electronic structure and properties of pyrazine, its cation, and anion", journal = j-IJQC, volume = "11", number = "5", pages = "767--773", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Petersson:1977:PCG, author = "G. A. Petersson", title = "The pairwise correlated generalized valence bond model of electronic structure. {II}. {A} simple physical model for electron correlation", journal = j-IJQC, volume = "11", number = "5", pages = "775--812", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:AGM, author = "J. Paldus and B. G. Adams and J. {\v{C}}{\'\i}{\v{z}}ek", title = "Application of graphical methods of spin algebras to limited {CI} approaches. {I}. {Closed} shell case", journal = j-IJQC, volume = "11", number = "5", pages = "813--848", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:AGM, author = "B. G. Adams and J. Paldus and J. {\v{C}}{\'\i}{\v{z}}ek", title = "Application of graphical methods of spin algebras to limited {CI} approaches. {II}. {A} simple open shell case", journal = j-IJQC, volume = "11", number = "5", pages = "849--867", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:ECF, author = "Bernard J. Laurenzi and Alan Flamberg", title = "Electronic computation of first-order wave functions using {Green}'s functions", journal = j-IJQC, volume = "11", number = "5", pages = "869--880", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Epstein:1977:PTW, author = "Saul T. Epstein", title = "Perturbation theory within the variation method", journal = j-IJQC, volume = "11", number = "5", pages = "881--884", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Johnson:1977:LBM, author = "J. W. Johnson and R. D. Poshusta", title = "Lower bound molecular orbitals for {H}, {HeH$^{++}$}, and {H}", journal = j-IJQC, volume = "11", number = "5", pages = "885--894", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "11", number = "5", pages = "fmi--fmii", month = may, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:20 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Calais:1977:P, author = "Jean-Louis Calais and Osvaldo Goscinski", title = "Preface", journal = j-IJQC, volume = "11", number = "6", pages = "895--895", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jansen:1977:PLS, author = "L. Jansen", title = "{P.-O. L{\"o}wdin}'s scientific and other activities", journal = j-IJQC, volume = "11", number = "6", pages = "897--905", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CSE, author = "A. J. Coleman", title = "The convex structure of electrons", journal = j-IJQC, volume = "11", number = "6", pages = "907--916", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Crossley:1977:LPO, author = "Richard J. S. Crossley", title = "On {L{\"o}wdin}'s projection operators for angular momentum. {I}", journal = j-IJQC, volume = "11", number = "6", pages = "917--929", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Grau:1977:ABL, author = "D. Grau", title = "An application of the {Brillouin--L{\"o}wdin} perturbation expansion: {Lower} bounds to the energy eigenvalues of the rigid rotator in an electric field", journal = j-IJQC, volume = "11", number = "6", pages = "931--941", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Klahn:1977:CLI, author = "Bruno Klahn and Werner A. Bingel", title = "Completeness and linear independence of basis sets used in quantum chemistry", journal = j-IJQC, volume = "11", number = "6", pages = "943--957", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:QTC, author = "Paul E. S. Wormer and Fred Mulder and Ad {Van Der Avoird}", title = "Quantum theoretical calculations of {van der Waals} interactions between molecules. {Anisotropic} long range interactions", journal = j-IJQC, volume = "11", number = "6", pages = "959--970", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:SST, author = "Jack Simons", title = "A survey of some theoretical studies of negative ions", journal = j-IJQC, volume = "11", number = "6", pages = "971--978", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hardisson:1977:ALS, author = "A. Hardisson and F. Mauricio and S. Velasco", title = "Absorption line shape of two coupled oscillators decaying in two different mediums", journal = j-IJQC, volume = "11", number = "6", pages = "979--989", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Linz:1977:EEC, author = "Peter Linz and Tien Chi Chen", title = "Exact eigenvalues for the {Coulomb} potential with cut-off", journal = j-IJQC, volume = "11", number = "6", pages = "991--1000", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:LCM, author = "Leon L. Combs", title = "A linear combination of molecular orbital formalism", journal = j-IJQC, volume = "11", number = "6", pages = "1001--1004", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:IAR, author = "Joyce J. Kaufman and Herbert E. Popkie and Harry J. T. Preston", title = "Ab-initio and approximately rigorous calculations on small, medium, and large systems", journal = j-IJQC, volume = "11", number = "6", pages = "1005--1015", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:DPB, author = "Henryk Chojnacki and Zbigniew Laskowski", title = "Dynamic potential barrier and tunneling", journal = j-IJQC, volume = "11", number = "6", pages = "1017--1020", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:AIM, author = "M. Dugay and G. Debarge", title = "{AMOS} and insulator-to-metal transitions", journal = j-IJQC, volume = "11", number = "6", pages = "1021--1033", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mueller:1977:PGS, author = "F. M. Mueller and H. W. Myron", title = "Point-group symmetry and transition metal superconductivity: {Nb Mo Tc} alloys", journal = j-IJQC, volume = "11", number = "6", pages = "1035--1041", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shull:1977:BRBa, author = "Harrison Shull", title = "Book Review: {{\booktitle{Quantum science. Methods and structure}}. Edited by J.-L. Calais, O. Goscinski, J. Linderberg, and Y. {\"O}hrn. Plenum Press, New York, 1976. 595 pages. Price: \$49.50}", journal = j-IJQC, volume = "11", number = "6", pages = "1043--1043", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Calais:1976:QSM}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shull:1977:BRBb, author = "Harrison Shull", title = "Book Review: {{\booktitle{Quantum mechanics of molecular conformations}}. Edited by Bernard Pullman. John Wiley \& Sons, London, 1976. 412 pages. Price: \pounds 16.00 (\$30.00)}", journal = j-IJQC, volume = "11", number = "6", pages = "1045--1045", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Pullman:1976:QMM}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "11", number = "6", pages = "fmi--fmii", month = jun, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560110601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Roy:1977:CHF, author = "H. P. Roy and A. Gupta and P. K. Mukherjee", title = "Coupled {Hartree--Fock} calculation of static dipole polarizations of open-shell ions", journal = j-IJQC, volume = "12", number = "1", pages = "1--9", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Chao:1977:AMS, author = "K. A. Chao and F. A. Oliveira and R. O. {De Cerqueira} and Norberto Majlis", title = "The {AMO} method at small internuclear distances", journal = j-IJQC, volume = "12", number = "1", pages = "11--17", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Suzuki:1977:GJP, author = "Noboru Suzuki", title = "Generalized {Jansen}'s perturbation theory for exchange interactions between aroms or molecules", journal = j-IJQC, volume = "12", number = "1", pages = "19--28", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Biondi:1977:FEE, author = "Franco Biondi and Oriano Salvetti and A. Go{\l}{\k{e}}biewski", title = "Formulas for evaluation of expectation values of monoelectric operators with modified {Gaussian} functions", journal = j-IJQC, volume = "12", number = "1", pages = "29--34", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Ali:1977:COCa, author = "M. K. Ali and William J. Meath", title = "On the convergence of one centre partial wave treatments for diatomic molecules. {H} ($1s \sigma_g$) and {Coulomb} versus electron exchange intermolecular forces", journal = j-IJQC, volume = "12", number = "1", pages = "35--59", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{George:1977:CEC, author = "Philip George and Mendel Trachtman and Alistair M. Brett and Charles W. Bock", title = "Correlation energy contributions to reaction heats", journal = j-IJQC, volume = "12", number = "1", pages = "61--81", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Brown:1977:CEE, author = "Richard E. Brown and S. Larsson", title = "Correlation effects to the expectation values of atomic systems", journal = j-IJQC, volume = "12", number = "1", pages = "83--92", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Lazzeretti:1977:CMS, author = "P. Lazzeretti and R. Zanasi", title = "Calculations of the magnetic shielding constants of heavy nuclei in polyatomic molecules", journal = j-IJQC, volume = "12", number = "1", pages = "93--103", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Gardre:1977:EMD, author = "S. R. Gardre and P. T. Narasimhan", title = "Electron momentum distributions from valence-bond wave functions", journal = j-IJQC, volume = "12", number = "1", pages = "105--113", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Gervy:1977:SMI, author = "D. Gervy and G. Verhaegen", title = "Simplified methods for ab initio calculations. {The} valence states of {CH$_2$} and {CH}", journal = j-IJQC, volume = "12", number = "1", pages = "115--131", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Goddard:1977:SMO, author = "John D. Goddard and Imre G. Czizmadia", title = "A study of molecular one-electron properties in terms of localized molecular orbital components", journal = j-IJQC, volume = "12", number = "1", pages = "133--143", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Kumar:1977:ESS, author = "Lalit Kumar and Hendrik J. Monkhorst and Jens Oddershede", title = "Electronic-structure studies of solides. {V}. {Rigorous Hartree--Fock} treatment of metallic hydrogen using a plane-wave basis", journal = j-IJQC, volume = "12", number = "1", pages = "145--160", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Linderberg:1977:SVP, author = "Jan Linderberg and Yngve {\"O}hrn", title = "State vectors and propagators in many-electron theory. {A} unified approach", journal = j-IJQC, volume = "12", number = "1", pages = "161--191", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Cherng:1977:NIO, author = "Sharon Cherng and Paul Westhaus", title = "A note on the importance of $d$ orbitals in the calculation of effective interactions and the excitation spectra of atoms and molecules", journal = j-IJQC, volume = "12", number = "1", pages = "193--205", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Mrozek:1977:SSE, author = "J. Mrozek and A. Go{\l}{\k{e}}biewski", title = "{SCF} scheme for excited states and analysis of the orbital relaxation effect for {H$_2$O} and {FNO}", journal = j-IJQC, volume = "12", number = "1", pages = "207--213", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Nanda:1977:IRA, author = "D. N. Nanda and P. T. Narasimhan", title = "On invariance requirements in approximate {SCF MO Theory}", journal = j-IJQC, volume = "12", number = "1", pages = "215--223", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Poshusta:1977:TGL, author = "R. D. Poshusta", title = "Tetrahedral {Gaussian Lobe Functions}", journal = j-IJQC, volume = "12", number = "1", pages = "225--226", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Simons:1977:NDB, author = "Jack Simons", title = "A {Note} on {Differences Between Operator-Level} and {Function-Level Equations} of {Motion}", journal = j-IJQC, volume = "12", number = "1", pages = "227--229", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Ahlberg:1977:BRB, author = "Ragnar Ahlberg", title = "Book Review: {{\booktitle{Handbook of atomic data}}. S. Fraga, I. Karwowski, and K. M. S. Sexena. Elsevier Scientific Publishing Company, Amsterdam, Oxford, New York, 1976. 551 pp. Price: \$74}", journal = j-IJQC, volume = "12", number = "1", pages = "231--231", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Fraga:1976:HAD}.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "1 Sep 2004", } @Article{Anonymous:1977:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "1", pages = "fmi--fmii", month = jul, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "1 Sep 2004", } @Article{Perlin:1977:PTP, author = "Y. U. E. Perlin and S. H. N. Gifeisman and Pham Van Quyet", title = "Perturbation theory in the path-integral representation and its application to some simple quantum systems", journal = j-IJQC, volume = "12", number = "2", pages = "233--246", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:UQG, author = "P. G. Mezey and K. Yates and G. Theodorakopoulos and I. G. Csizmadia", title = "Uniform quality {Gaussian} basis sets for organo-silicon compounds", journal = j-IJQC, volume = "12", number = "2", pages = "247--254", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:VLSa, author = "D. J. Klein", title = "Variational localized-site cluster expansions. {VI}. {General} theory revisited", journal = j-IJQC, volume = "12", number = "2", pages = "255--271", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garciaa-bach:1977:VLS, author = "M. A. Garc{\'\i}aa-bach and D. J. Klein", title = "Variational localized-site cluster expansions. {VII}. {Higher} ans{\"a}tze and the linear {Heisenberg} model", journal = j-IJQC, volume = "12", number = "2", pages = "273--289", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:VLSb, author = "D. J. Klein and M. A. Garc{\'\i}a-Bach", title = "Variational localized-site cluster expansions. {VIII}. {Projection} of spin symmetries", journal = j-IJQC, volume = "12", number = "2", pages = "291--303", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Blakemore:1977:VIS, author = "M. Blakemore and G. A. Evans and J. Hyslop", title = "Variation--iteration solution of the {Hartree--Fock} equations for atomic systems", journal = j-IJQC, volume = "12", number = "2", pages = "305--315", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:KSG, author = "N. F. Stepanov", title = "On the {Kashiwagi--Sasaki} generalization of the {L{\"o}wdin} orthogonalization and the inverse vibrational problem", journal = j-IJQC, volume = "12", number = "2", pages = "317--326", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuprievich:1977:MOE, author = "V. A. Kuprievich and V. E. Klymenko", title = "Modified one-electron {Hamiltonian} method in the {MC SCF} theory", journal = j-IJQC, volume = "12", number = "2", pages = "327--334", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:ICE, author = "P. Csavinszky", title = "Investigation of the convergence of an expansion of the screening-charge density for impurity ions in semiconductors", journal = j-IJQC, volume = "12", number = "2", pages = "335--342", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bunge:1977:RFO, author = "Carlos F. Bunge", title = "Reduced first order density matrix for the {Be} ground state", journal = j-IJQC, volume = "12", number = "2", pages = "343--353", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:NEM, author = "Alan C. Hopkinson and Min H. Lien and Keith Yates and Imre G. Csizmadia", title = "A non-empirical molecular orbital study of valence tautomers of {C$_2$H$_3$N}", journal = j-IJQC, volume = "12", number = "2", pages = "355--368", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:BDS, author = "Ruben Pauncz", title = "Branching diagram and {Serber}-type spin functions. {Algorithms} for their construction and special properties", journal = j-IJQC, volume = "12", number = "2", pages = "369--382", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Guenzburger:1977:ESC, author = "Diana Guenzburger and Bruno Maffeo and Sven Larsson", title = "Electronic structure calculation of {[Fe(CN)$_6$]$^{-3}$} by the {SCF--MS X$\alpha$} method: {Study} of optical transitions, {X}-ray photoelectron spectrum, and {M{\"o}ssbauer} isomer shifts", journal = j-IJQC, volume = "12", number = "2", pages = "383--396", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:OPD, author = "Flemming J{\o}rgensen", title = "Orthonormalization, polar decomposition, and transformation to an effective {Hamiltonian}", journal = j-IJQC, volume = "12", number = "2", pages = "397--426", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barnett:1977:CES, author = "Gene Barnett", title = "Comments on excited state polarizabilities of molecules", journal = j-IJQC, volume = "12", number = "2", pages = "427--429", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Af, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "12", number = "2", pages = "431--431", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ag, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "12", number = "2", pages = "432--432", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "2", pages = "fmi--fmii", month = aug, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Steslicka:1977:LSS, author = "Maria St{\k{e}}{\'s}licka and B. Stankiewicz", title = "Localized states in a simple cubic crystal via the next-nearest neighbor approximation", journal = j-IJQC, volume = "12", number = "3", pages = "433--441", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ahlberg:1977:CPG, author = "Ragnar Ahlberg", title = "Convergence properties of generalized inner projections to dynamic polarizabilities", journal = j-IJQC, volume = "12", number = "3", pages = "443--447", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:TIA, author = "Hiroshi Kashiwagi and Toshikazu Takada", title = "Test of an integral approximation scheme based on semiorthogonalized orbitals in {LCAO SCF MO CI} calculations of naphthalene", journal = j-IJQC, volume = "12", number = "3", pages = "449--456", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Konig:1977:CFP, author = "E. K{\"o}nig and S. Kremer", title = "The concept of fractional parentage for arbitrary molecular point groups", journal = j-IJQC, volume = "12", number = "3", pages = "457--469", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Preston:1977:MXC, author = "Harry J. T. Preston and Joyce J. Kaufman", title = "{MS--X$\alpha$} calculations of the electron affinities and ionization potentials of some heavy metals and their hydrides and fluorides", journal = j-IJQC, volume = "12", number = "3", pages = "471--484", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:VME, author = "G. V. Wolf and D. S. Farberov and V. P. Shirokovskii", title = "Vanadium monoxide energy-spectrum calculation using the augmented-plane-wave and {Green}'s function methods", journal = j-IJQC, volume = "12", number = "3", pages = "485--494", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CTT, author = "S. G. Christov", title = "Collision theory treatment of monomolecular and bimolecular gas reactions", journal = j-IJQC, volume = "12", number = "3", pages = "495--503", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:MOC, author = "V. Kothekar and S. Dutta", title = "Molecular orbital calculations of metal ion interaction with nucleic acid bases. {I}. {Binding} of {Cu(II)} with adenine, guanine, uracil, and cytosine", journal = j-IJQC, volume = "12", number = "3", pages = "505--514", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:IVB, author = "G. F. Tantardini and M. Simonetta", title = "Ab initio valence bond calculations. {VII}. {HF}, {HF$^+$}, and {H$_2$F$^+$}", journal = j-IJQC, volume = "12", number = "3", pages = "515--525", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Selsby:1977:SEMb, author = "R. G. Selsby and Alec Grimison", title = "A semi-empirical {MO} theory for ionization potentials and electron affinities. {II}. {Vertical} and adiabatic values, benzenoid and nonbenzenoid aromatic hydrocarbons, and conjugated molecules with heteroatoms", journal = j-IJQC, volume = "12", number = "3", pages = "527--544", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:SES, author = "Alain Pell{\'e}gatti", title = "Simple extended {STO} basis sets. {Helium}", journal = j-IJQC, volume = "12", number = "3", pages = "545--547", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:PCK, author = "Delano P. Chong and Yuuzi Takahata", title = "Perturbation corrections to {Koopmans}' theorem. {IV}. {Energy}-shifted perturbation theory", journal = j-IJQC, volume = "12", number = "3", pages = "549--559", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Samanta:1977:PTH, author = "S. R. Samanta and M. A. Ali", title = "Perturbation treatment of the {Hartree--Fock} equations of $1s 2p 3s$ {$^4P^\theta$} state of the lithium isoelectronic sequence", journal = j-IJQC, volume = "12", number = "3", pages = "561--568", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Careless:1977:RSN, author = "P. N. Careless and D. Hyatt and L. Stanton", title = "Removal of singularities in the numerical integrals for an {STO} basis set", journal = j-IJQC, volume = "12", number = "3", pages = "569--578", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:RBO, author = "B. L{\'e}vy and G. Berthier", title = "Relationship between orthogonalization and orbital localization procedures", journal = j-IJQC, volume = "12", number = "3", pages = "579--590", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ah, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "12", number = "3", pages = "591--591", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "3", pages = "fmi--fmii", month = sep, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:21 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Huang:1977:FSG, author = "Hsing Hua Huang and Ali H. Pakiari", title = "Floating spherical {Gaussian} orbital open-shell calculations on the four-electron {H$_4$} system", journal = j-IJQC, volume = "12", number = "4", pages = "593--608", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:DPT, author = "Stephen Wilson", title = "Diagrammatic perturbation theory: {Potential} curves for the ground state of the carbon monoxide molecule", journal = j-IJQC, volume = "12", number = "4", pages = "609--622", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Collard:1977:OTE, author = "Kathleen Collard and George G. Hall", title = "Orthogonal trajectories of the electron density", journal = j-IJQC, volume = "12", number = "4", pages = "623--637", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Niyogi:1977:ESE, author = "B. Guha Niyogi and D. C. Mukherjee and A. B. Sannigrahi", title = "Effect of semi-empirical parameters on the simple random-phase approximation calculations of conjugated hydrocarbons", journal = j-IJQC, volume = "12", number = "4", pages = "639--654", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Oddershede:1977:DEE, author = "Jens Oddershede and Poul J{\o{}}rgensen and Nelson H. F. Beebe", title = "Determination of Excitation Energies and Transition Moments in a Second Order Polarization Propagator Approach. Application to the {$Be$} Atom and the {$CH^+$} Molecule", journal = j-IJQC, volume = "12", number = "4", pages = "655--670", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe.bib; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Srinivasan:1977:CEM, author = "K. A. R. Sundaram Srinivasan", title = "Conformational energy map for a pair of peptide units using the bond polarisability method", journal = j-IJQC, volume = "12", number = "4", pages = "671--681", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beebe:1977:SGT, author = "Nelson H. F. Beebe and Jan Linderberg", title = "Simplifications in the generation and transformation of two-electron integrals in molecular calculations", journal = j-IJQC, volume = "12", number = "4", pages = "683--705", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beebe:1977:STE, author = "Nelson H. F. Beebe and Jan Linderberg", title = "Simplifications in the Two-Electron Integral Array in Molecular Calculations", journal = j-IJQC, volume = "12", number = "4", pages = "683--705", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 18:56:57 1996", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe.bib; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Rosenkrantz:1977:MXM, author = "Marcy E. Rosenkrantz and Daniel D. Konowalow", title = "The {MT X$\alpha_R$} method. {The} determination and use of ``molecular'' $\alpha$ values in molecular multiple scattering {X$\alpha$} calculations", journal = j-IJQC, volume = "12", number = "4", pages = "707--719", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:PBO, author = "H. Ess{\'e}n", title = "The physics of the {Born--Oppenheimer} approximation", journal = j-IJQC, volume = "12", number = "4", pages = "721--735", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bartlett:1977:TOM, author = "Rodney J. Bartlett and Stephen Wilson and David M. Silver", title = "Third-order many-body perturbation theory for the ground state of the carbon monoxide molecule", journal = j-IJQC, volume = "12", number = "4", pages = "737--757", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:WBQ, author = "N. Moiseyev and J. Katriel and C. Trindle", title = "A weakly bound, quantum-mechanical {Buridan}'s ass", journal = j-IJQC, volume = "12", number = "4", pages = "759--763", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Firsht:1977:CMS, author = "D. Firsht and B. T. Pickup", title = "On convergence in many-shell {SCF} theory", journal = j-IJQC, volume = "12", number = "4", pages = "765--776", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:DEG, author = "W. Kutzelnigg and A. Meunier and B. L{\'e}vy and G. Berthier", title = "On the dependence of the energy given by a {CI} limited to double substitutions with respect to the number of electrons", journal = j-IJQC, volume = "12", number = "4", pages = "777--779", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hendekovic:1977:HFS, author = "J. Hendekovi{\'c}", title = "{Hermitian} form of the secular equation in the complex molecular orbitals method", journal = j-IJQC, volume = "12", number = "4", pages = "781--783", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ai, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "12", number = "4", pages = "784--784", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "4", pages = "fmi--fmii", month = oct, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Knezevic:1977:SSP, author = "G. Kne{\v{z}}evi{\'c} and M. Marinkovi{\'c} and B. To{\v{s}}i{\'c}", title = "On some specific properties of systems endowed with dipole--dipole interactions", journal = j-IJQC, volume = "12", number = "5", pages = "785--794", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:PCI, author = "R. Lochmann", title = "Problems of the calculation of intermolecular interactions on complexes with strong delocalized $\pi$-bonds within the {PCILO} framework", journal = j-IJQC, volume = "12", number = "5", pages = "795--803", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Weller:1977:PCH, author = "Th. Weller", title = "{PCILO} calculations on hydrogen bonded complexes. {Dimers} involving second row atoms", journal = j-IJQC, volume = "12", number = "5", pages = "805--811", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:SVE, author = "S. Noor Mohammad", title = "Selected valence electron {SCF MO} calculations on alkali metal diatomics", journal = j-IJQC, volume = "12", number = "5", pages = "813--825", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:NAS, author = "Peter Scharfenberg", title = "A new algorithm for the symmetric {(L{\"o}wdin)} orthonormalization", journal = j-IJQC, volume = "12", number = "5", pages = "827--839", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", abstract = "A new method for the numerical calculation of (inverse) square roots of real symmetric matrices is proposed. Simplicity of the algorithm, good numerical accuracy, short computational time and the possibility to solve the problem in an $(n, n)$ array are some of its features; in addition a new theoretical view on this problem is presented.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:PCH, author = "R. Lochmann", title = "{PCILO} calculations on hydrogen bonded complexes", journal = j-IJQC, volume = "12", number = "5", pages = "841--850", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CMC, author = "R. Lochmann", title = "Calculation of molecular crystals within the {PCILOCC} framework", journal = j-IJQC, volume = "12", number = "5", pages = "851--858", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nishikawa:1977:ECF, author = "Kiyoshi Nishikawa", title = "Exact calculations of {Franck--Condon} overlaps and of matrix elements of some potentials by means of the coherent state representation", journal = j-IJQC, volume = "12", number = "5", pages = "859--873", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:AAB, author = "J. {\v{C}}{\'\i}{\v{z}}ek and J. Paldus", title = "An algebraic approach to bound states of simple one-electron systems", journal = j-IJQC, volume = "12", number = "5", pages = "875--896", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ali:1977:COCb, author = "M. K. Ali and W. J. Meath", title = "On the convergence of one-centre partial wave treatments for diatomic molecules. {II}. {Heteronuclear} one-electron diatomic molecules using the $1s\sigma$, $2s\sigma$, $3s\sigma$, $2p\sigma$, $3p\sigma$, and $3p\sigma$ states of {HeH$^{++}$} as models", journal = j-IJQC, volume = "12", number = "5", pages = "897--914", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lazukova:1977:EAS, author = "N. I. Lazukova and V. A. Gubanov and V. G. Mokerov", title = "Electronic absorption spectra of {V$_2$O$_5$}", journal = j-IJQC, volume = "12", number = "5", pages = "915--923", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rai:1977:BTT, author = "D. K. Rai and J. Ladik", title = "{Breit}-type three-electron equation in the {Pauli} approximation", journal = j-IJQC, volume = "12", number = "5", pages = "925--935", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Popkie:1977:MCMa, author = "Herbert E. Popkie and Joyce J. Kaufman", title = "Molecular calculations with the {MODPOT}, {VRDDO}, and {MODPOT} \slash {VRDDO} procedures. {IV}. {Boron} hydrides and carboranes", journal = j-IJQC, volume = "12", number = "5", pages = "937--961", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Howat:1977:DSO, author = "G. Howat and M. Trsic and O. Goscinski", title = "Differential scaling of $\sigma$ and $\pi$ orbitals, and the geometric approximation for molecular polarizabilities", journal = j-IJQC, volume = "12", number = "5", pages = "963--965", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:BRBa, author = "Leon L. Combs", title = "Book Review: {{\booktitle{Electron Correlation in Small Molecules}}. A. C. Hurley. Academic Press, London, England, 1976. VIII + 276 pp. Price: \pounds 10.50}", journal = j-IJQC, volume = "12", number = "5", pages = "967--967", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Hurley:1976:ECS}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:BRBb, author = "Leon L. Combs", title = "Book Review: {{\booktitle{Introduction to the Electron Theory of Small Molecules}}. A. C. Hurley. Academic Press, London, England, 1976. X + 329 pp. Price: \pounds 12.00}", journal = j-IJQC, volume = "12", number = "5", pages = "967--968", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120517", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Hurley:1976:IET}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Aj, author = "Anonymous", title = "Announcements", journal = j-IJQC, volume = "12", number = "5", pages = "969--969", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120518", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "5", pages = "fmi--fmii", month = nov, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Makhanek:1977:LTM, author = "A. G. Makhanek and V. S. Korolkov and A. F. Fedorov", title = "{Laplace} transform method in two-photon spectroscopy theory", journal = j-IJQC, volume = "12", number = "6", pages = "971--983", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:SFQa, author = "F. A. Matsen and T. L. Welsher and B. Yurke", title = "Spin-free quantum chemistry. {XIX}. {Particle}-hole and pairing symmetries", journal = j-IJQC, volume = "12", number = "6", pages = "985--999", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:SFQb, author = "F. A. Matsen and T. L. Welsher", title = "Spin-Free quantum chemistry. {XX}. {The} alternancy quantum number", journal = j-IJQC, volume = "12", number = "6", pages = "1001--1015", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Konig:1977:ITO, author = "E. K{\"o}nig and S. Kremer", title = "Irreducible tensor operator methods in strong-field coupling", journal = j-IJQC, volume = "12", number = "6", pages = "1017--1031", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kummer:1977:ARB, author = "H. Kummer", title = "About the relationship between some necessary conditions for {$N$}-representability", journal = j-IJQC, volume = "12", number = "6", pages = "1033--1038", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:CGM, author = "John E. Harriman", title = "A comparison of geometric methods with other methods for the characterization of density matrices", journal = j-IJQC, volume = "12", number = "6", pages = "1039--1048", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ak, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "12", number = "6", pages = "1049--1049", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1977:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "6", pages = "fmi--fmii", month = dec, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Szent-Gyorgyi:1977:WR, author = "Albert Szent-Gy{\"o}rgyi", title = "Welcoming remarks", journal = j-IJQC, volume = "12", number = "S4", pages = "1--1", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1977:CQM, author = "B. Pullman", title = "Contribution of quantum-mechanical computations to the elucidation of the solution structure of {tRNA} by {NMR} techniques", journal = j-IJQC, volume = "12", number = "S4", pages = "3--10", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sundaralingam:1977:NWC, author = "M. Sundaralingam", title = "Non-{Watson--Crick} base pairs in ribonucleic acids", journal = j-IJQC, volume = "12", number = "S4", pages = "11--23", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Urry:1977:PMM, author = "D. W. Urry", title = "Polypeptide models for membrane permeation by cations and their relevance to biomembrane depolarization", journal = j-IJQC, volume = "12", number = "S4", pages = "25--41", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Saran:1977:MOS, author = "Anil Saran and Chanchal K. Mitra and Bernard Pullman", title = "Molecular orbital studies on nucleoside {Antibiotics}. {I}. {Conformation} of {C-C} linked antibiotics, formycin and showdomycin", journal = j-IJQC, volume = "12", number = "S4", pages = "43--54", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1977:EBS, author = "J{\'a}nos Ladik and S{\'a}ndor Suhai and Peter Otto and Thomas C. Collins", title = "Estimation of the band structure of {DNA} on the basis of an ab initio {SCF LCAO} band structure of polycytosine", journal = j-IJQC, volume = "12", number = "S4", pages = "55--63", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nakashima:1977:TRP, author = "Tadayoshi Nakashima and John R. Jungck and Sidney W. Fox and E. Lederer and B. C. Das", title = "A test for randomness in peptides isolated from a thermal polyamino acid", journal = j-IJQC, volume = "12", number = "S4", pages = "65--72", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kleier:1977:MOS, author = "Daniel A. Kleier and William N. Lipscomb", title = "Molecular orbital study of polypeptides. {Conformational} and electronic structure of polyglycine", journal = j-IJQC, volume = "12", number = "S4", pages = "73--86", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pack:1977:OSS, author = "George R. Pack and Gilda H. Loew", title = "The origins of sequence specificity of ethidium nucleic acid intercalation", journal = j-IJQC, volume = "12", number = "S4", pages = "87--96", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Renugopalakrishnan:1977:NMR, author = "V. Renugopalakrishnan and A. Khaled and K. Okamoto and D. W. Urry", title = "Nuclear magnetic resonance and conformational energy calculations of repeat peptides of tropoelastin: {Correlation} of {$^1$J($^{15}$N--$^1$H)} with nonplanarity of peptide moiety", journal = j-IJQC, volume = "12", number = "S4", pages = "97--110", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weintraub:1977:CEC, author = "H. J. R. Weintraub", title = "Conformational energy calculations on anticonvulsant drugs", journal = j-IJQC, volume = "12", number = "S4", pages = "111--125", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Block:1977:ASA, author = "Arthur McB. Block and Elvira Cuevas and Ram S. Lamba", title = "Auxin structure--activity relationship. {Preliminary} results of studies of chemical control of an ecosystem in its steady state", journal = j-IJQC, volume = "12", number = "S4", pages = "127--133", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nir:1977:DMS, author = "Shlomo Nir and Ramon Gardu{\~n}o and Robert Rein and Yves Coeckelenbergh and Robert D. Macelroy and John T. Egan", title = "Display, manipulation, and simulation of macromolecules", journal = j-IJQC, volume = "12", number = "S4", pages = "135--141", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Harcourt:1977:VFF, author = "R. D. Harcourt", title = "Valence formulas for the {Fe(II)O$_2$} linkage of oxyhemoglobin and cytochrome {P}-450-dependent mono--oxygenases", journal = j-IJQC, volume = "12", number = "S4", pages = "143--153", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Nevis:1977:SSR, author = "Arnold H. Nevis and Arun K. Majumdar", title = "State space representation of nerve excitation", journal = j-IJQC, volume = "12", number = "S4", pages = "155--160", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Boyd:1977:MSS, author = "Donald B. Boyd", title = "{MINDO}\slash 3 {Study} of {$N$}-Substituted Monocyclic $\beta$-Lactam Structures", journal = j-IJQC, volume = "12", number = "S4", pages = "161--167", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Daudel:1977:RPC, author = "R. Daudel", title = "Recent progress in chemical carcinogenesis", journal = j-IJQC, volume = "12", number = "S4", pages = "169--177", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Szent-Gyorgyi:1977:PRR, author = "Albert Szent-Gy{\"o}rgyi", title = "Protein radicals, regulations, and cancer", journal = j-IJQC, volume = "12", number = "S4", pages = "179--184", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lowdin:1977:SCM, author = "Per-Olov L{\"o}wdin", title = "Some current models of carcinogenesis", journal = j-IJQC, volume = "12", number = "S4", pages = "185--196", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Garduno:1977:PPB, author = "Ramon Gardu{\~n}o and Robert Rein and John T. Egan and Yves Coeckelenbergh and Robert D. Macelroy", title = "Purine-purine base pairs and the origin of transversion-type mutation", journal = j-IJQC, volume = "12", number = "S4", pages = "197--204", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", xxnote = "Check first author: Gardu{\~n}o or Gardu{\~n}to??", } @Article{Thomson:1977:QMI, author = "Colin Thomson and David Provan and Susan Clark", title = "Quantum-mechanical investigations of unstable intermediates relevant to the mechanism of chemical carcinogenesis by {$N$}-alkylnitrosamines", journal = j-IJQC, volume = "12", number = "S4", pages = "205--215", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Abdulnur:1977:IMM, author = "Suheil F. Abdulnur", title = "The interaction of methylglyoxal with methylamine and the triplet state", journal = j-IJQC, volume = "12", number = "S4", pages = "217--223", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Loew:1977:MEA, author = "Gilda H. Loew and Leonard M. Hjelmeland and Robert F. Kirchner", title = "Models for the enzymatically active state of cytochrome p-450", journal = j-IJQC, volume = "12", number = "S4", pages = "225--244", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Holtje:1977:IEC, author = "Hans-Dieter H{\"o}ltje", title = "Interaction energy calculations on interactions between pharmacon models and ionic receptor site models", journal = j-IJQC, volume = "12", number = "S4", pages = "245--252", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weinstein:1977:MMM, author = "Harel Weinstein and Roman Osman", title = "Models for molecular mechanisms in drug--receptor interactions. {Serotonin} and 5-hydroxyindole complexes with imidazolium cation", journal = j-IJQC, volume = "12", number = "S4", pages = "253--268", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sarma:1977:CPN, author = "Ramaswamy H. Sarma and Steven S. Danyluk", title = "Conformational properties of nucleic acids in solution", journal = j-IJQC, volume = "12", number = "S4", pages = "269--276", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Webb:1977:PVI, author = "S. J. Webb and R. Lee and M. E. Stoneham", title = "Possible viral involvement in human mammary carcinoma: {A} microwave and laser-{Raman} study", journal = j-IJQC, volume = "12", number = "S4", pages = "277--284", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Sundaralingam:1977:PPL, author = "M. Sundaralingam and N. Yathindra", title = "Probing possible left-and right-handed polynucleotide helical conformations from n-h plots. {Glycosyl} and backbone torsional variation on handedness of helix", journal = j-IJQC, volume = "12", number = "S4", pages = "285--303", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Song:1977:ESP, author = "Pill-Soon Song and Chen-An Chin and Iwao Yamazaki and Hiroaki Baba", title = "Excited states of photobiological receptors. {II}. {Chlorophylls}, phytochrome, and stentorin", journal = j-IJQC, volume = "12", number = "S4", pages = "305--315", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Politzer:1977:CAE, author = "Peter Politzer and Kenneth C. Daiker", title = "A comparative analysis of the electrostatic potentials of some polycyclic aromatic hydrocarbons", journal = j-IJQC, volume = "12", number = "S4", pages = "317--325", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1977:ISN, author = "Alberte Pullman and H{\'e}l{\`e}ne Berthod", title = "An ab initio study of a nucleoside: {Uridine}", journal = j-IJQC, volume = "12", number = "S4", pages = "327--336", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Rohmer:1977:EVS, author = "Marie-Madeleine Rohmer and Michael Barry and Alain Dedieu and Alain Veillard", title = "End-on versus side-on coordination of dioxygen: {An} ab initio calculation for peroxotitaniumporphyrin", journal = j-IJQC, volume = "12", number = "S4", pages = "337--342", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Petke:1977:ICL, author = "J. D. Petke and Ralph E. Christoffersen and Gerald M. Maggiora and Lester L. Shipman", title = "Ab initio calculations on large molecules using molecular fragments. {SCF-MO-CI Studies} on low-lying singlet and triplet states of pyrazine", journal = j-IJQC, volume = "12", number = "S4", pages = "343--355", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Brown:1977:MOS, author = "Richard E. Brown and Alfredo M. Simas and Roy E. Bruns", title = "A molecular orbital study of the chloramphenicol family of drugs: {A} preliminary report", journal = j-IJQC, volume = "12", number = "S4", pages = "357--362", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Eisenstein:1977:DCB, author = "Laura Eisenstein", title = "Dynamics of {CO} binding to heme proteins", journal = j-IJQC, volume = "12", number = "S4", pages = "363--374", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1977:TAP, author = "Joyce J. Kaufman", title = "Theoretical approaches to pharmacology", journal = j-IJQC, volume = "12", number = "S4", pages = "375--412", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davies:1977:SSM, author = "R. H. Davies", title = "A steady-state model of drug--receptor interaction in vivo applied to antagonists of the $\beta$-adrenergic receptor", journal = j-IJQC, volume = "12", number = "S4", pages = "413--442", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Linder:1977:ABL, author = "Bruno Linder and David A. Rabenold", title = "On the attraction between linear chain molecules and the many-body problem", journal = j-IJQC, volume = "12", number = "S4", pages = "443--449", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Otto:1977:ISS, author = "Peter Otto and S{\'a}ndor Suhai and J{\'a}nos Ladik", title = "Ab initio supermolecule study of charge transfer in the glyoxal--formamide and in the {H$_2$ S--formamide} systems", journal = j-IJQC, volume = "12", number = "S4", pages = "451--457", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Talekar:1977:TDA, author = "Subhash V. Talekar", title = "Temperature dependence of activation energies for self-diffusion of water and of alkali ions in aqueous electrolyte solutions. {A} model for ion selective behavior of biological cells", journal = j-IJQC, volume = "12", number = "S4", pages = "459--469", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1977:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "S4", pages = "fmi--fmi", day = "9--12", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:13 MDT 2011", bibsource = "http://www3.interscience.wiley.com/journalfinder.html; http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1977:WH, author = "Anonymous", title = "{Walter Heitler}", journal = j-IJQC, volume = "12", number = "S11", pages = "1--2", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Anonymous:1977:EH, author = "Anonymous", title = "Erich {H{\"u}ckel}", journal = j-IJQC, volume = "12", number = "S11", pages = "3--3", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Anonymous:1977:LFH, author = "Anonymous", title = "{Lebenslauf von Friedrich Hund}", journal = j-IJQC, volume = "12", number = "S11", pages = "5--10", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Nauckhoff:1977:IR, author = "Carl-Henric Nauckhoff", title = "Introductory remarks", journal = j-IJQC, volume = "12", number = "S11", pages = "11--14", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Hanson:1977:WR, author = "Harold P. Hanson", title = "Welcoming remarks", journal = j-IJQC, volume = "12", number = "S11", pages = "15--16", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Wilson:1977:IHL, author = "E. Bright Wilson", title = "Impact of the {Heitler-London} hydrogen molecule paper on chemistry", journal = j-IJQC, volume = "12", number = "S11", pages = "17--28", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Parr:1977:EHF, author = "Robert G. Parr", title = "{Erich H{\"u}ckel} and {Friedrich Hund} --- Pioneers in quantum chemistry", journal = j-IJQC, volume = "12", number = "S11", pages = "29--37", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Johnson:1977:SOE, author = "K. H. Johnson", title = "Spin-orbital electronegativity, the {X$\alpha$} method, and reactivity at transition-metal interfaces", journal = j-IJQC, volume = "12", number = "S11", pages = "39--60", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Braga:1977:SIE, author = "Manuel Braga and Sven Larsson", title = "Satellite intensities in {ESCA} spectra of {Ti(IV)} fluoro- and oxocomplexes calculated by the multiple scattering and {INDO} methods", journal = j-IJQC, volume = "12", number = "S11", pages = "61--69", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Gunnarsson:1977:MCU, author = "O. Gunnarsson and J. Harris and R. O. Jones", title = "Molecular calculations using the muffin-tin orbital method", journal = j-IJQC, volume = "12", number = "S11", pages = "71--74", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Alves:1977:MSX, author = "J. L. Alves and M. L. {De Siqueira}", title = "Multiple scattering {X$\alpha$} calculation of crystal field parameters for a divalent thulium impurity in calcium fluoride", journal = j-IJQC, volume = "12", number = "S11", pages = "75--79", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Dunlap:1977:ALX, author = "Brett I. Dunlap and John W. D. Connolly and John R. Sabin", title = "On the applicability of {LCAO-X} $\alpha$ methods to molecules containing transition metal atoms: {The} nickel atom and nickel hydride", journal = j-IJQC, volume = "12", number = "S11", pages = "81--87", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Davenport:1977:MST, author = "James W. Davenport", title = "Multiple scattering theory of photoemission", journal = j-IJQC, volume = "12", number = "S11", pages = "89--96", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Green:1977:AYS, author = "A. E. S. Green and R. H. Garvey and C. H. Jackman", title = "Analytic yield spectra for electrons on {H$_2$}", journal = j-IJQC, volume = "12", number = "S11", pages = "97--103", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Csavinszky:1977:VMT, author = "P. Csavinszky", title = "A variationally modified {Thomas--Fermi} approach to the repulsive potential between noble gas atoms and positive and negative ions of spherically symmetric electron configurations", journal = j-IJQC, volume = "12", number = "S11", pages = "105--117", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Godefroid:1977:MTS, author = "M. Godefroid and J. J. Berger and G. Verhaegen", title = "Multiconfigurational transition state calculations of atomic oscillator strengths. {The} resonance transition of beryllium", journal = j-IJQC, volume = "12", number = "S11", pages = "119--123", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Sasaki:1977:ECI, author = "Fukashi Sasaki", title = "Effectiveness of configuration interaction calculations for large molecules", journal = j-IJQC, volume = "12", number = "S11", pages = "125--130", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Shavitt:1977:GTC, author = "Isaiah Shavitt", title = "Graph theoretical concepts for the unitary group approach to the many-electron correlation problem", journal = j-IJQC, volume = "12", number = "S11", pages = "131--148", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Pople:1977:VCI, author = "J. A. Pople and R. Seeger and R. Krishnan", title = "Variational configuration interaction methods and comparison with perturbation theory", journal = j-IJQC, volume = "12", number = "S11", pages = "149--163", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Bartlett:1977:DSC, author = "Rodney J. Bartlett and Isaiah Shavitt", title = "Determination of the size-consistency error in the single and double excitation configuration interaction model", journal = j-IJQC, volume = "12", number = "S11", pages = "165--173", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Manne:1977:LDE, author = "Rolf Manne", title = "The linked-diagram expansion of the ground state of a many-electron system: {A} time-independent derivation", journal = j-IJQC, volume = "12", number = "S11", pages = "175--192", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Adams:1977:HLD, author = "William H. Adams", title = "The {Heitler-London} description of the covalent bond in {H$_2$}", journal = j-IJQC, volume = "12", number = "S11", pages = "193--199", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Ellis:1977:MPR, author = "D. E. Ellis", title = "Moment-polarized relativistic potentials", journal = j-IJQC, volume = "12", number = "S11", pages = "201--205", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Burton:1977:BFC, author = "Peter G. Burton", title = "Bond functions in {CEPA-PNO} computations of electronic structure. {Basis} set optimization studies in {N$_2$ H$_2$}. {Application} to ozone and the stability of the bound cyclic conformer of {O$_3$}", journal = j-IJQC, volume = "12", number = "S11", pages = "207--213", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Coldwell:1977:ZMC, author = "Robert Lynn Coldwell", title = "Zero {Monte Carlo} error or quantum mechanics is easier", journal = j-IJQC, volume = "12", number = "S11", pages = "215--222", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Hurley:1977:GIP, author = "A. C. Hurley", title = "Group integration, projected basis functions, and correlation rules for linear molecules", journal = j-IJQC, volume = "12", number = "S11", pages = "223--228", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Findley:1977:MRT, author = "G. L. Findley and K. Wittel and W. S. Felps and S. P. McGlynn", title = "Molecular {Rydberg} transitions. {VIII}. {The} geometry of ethylene in the {R$_{1s}$} state", journal = j-IJQC, volume = "12", number = "S11", pages = "229--243", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Merrifield:1977:RRP, author = "D. L. Merrifield and N. S. Ostlund", title = "A rigid-rotor potential surface for the hydrogen molecule dimer", journal = j-IJQC, volume = "12", number = "S11", pages = "245--250", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Shultz:1977:CTM, author = "Mary Jane Shultz", title = "A canonical transformation method for the treatment of a strong coupling problem", journal = j-IJQC, volume = "12", number = "S11", pages = "251--257", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Bak:1977:PNC, author = "B{\o}rge Bak and Henrik Svanholt", title = "Production of new compounds by vibrational dissociation", journal = j-IJQC, volume = "12", number = "S11", pages = "259--262", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Nesbet:1977:CEE, author = "R. K. Nesbet", title = "Correlation effects in electron scattering and attachment by open-shell atoms", journal = j-IJQC, volume = "12", number = "S11", pages = "263--269", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Beyer:1977:FSS, author = "H-J. Beyer and H. Kleinpoppen", title = "Fine structure and {Stark} shifts from anticrossing studies", journal = j-IJQC, volume = "12", number = "S11", pages = "271--287", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Hehenberger:1977:DRE, author = "Michael Hehenberger and Nils Elander", title = "Determination of resonance energies and nonradiative lifetimes of rotationally predissociating diatomic molecules: {The} {B\,$^2\Sigma^-$} state of {CH}", journal = j-IJQC, volume = "12", number = "S11", pages = "289--293", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Froelich:1977:NCT, author = "Piotr Froelich and Michael Hehenberger and Erkki Br{\"a}ndas", title = "A note on the complex transformation method and the extended virial theorem for treating resonances in the continuous spectrum", journal = j-IJQC, volume = "12", number = "S11", pages = "295--299", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Langhoff:1977:AST, author = "P. W. Langhoff", title = "Applications of the {Stieltjes--Tchebycheff} procedure for atomic and molecular photoionization calculations in {Hilbert} space", journal = j-IJQC, volume = "12", number = "S11", pages = "301--310", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Redmon:1977:SSC, author = "L. T. Redmon and J. C. Browne", title = "Sum-over-states calculations of the polarizabilities of the ground and first excited states of the lithium atom", journal = j-IJQC, volume = "12", number = "S11", pages = "311--319", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Kaijser:1977:DCP, author = "Per Kaijser", title = "On directional {Compton} profiles and the {$J(0)$} surface", journal = j-IJQC, volume = "12", number = "S11", pages = "321--325", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Knirk:1977:MIP, author = "Dwayne L. Knirk and Richard C. Liedtke", title = "Model interaction potentials for atom-diatom scattering", journal = j-IJQC, volume = "12", number = "S11", pages = "327--336", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Liedtke:1977:FPC, author = "Richard C. Liedtke and Dwayne L. Knirk and Edward F. Hayes", title = "{Feshbach} projection calculations of compound state resonances in atom-diatom scattering", journal = j-IJQC, volume = "12", number = "S11", pages = "337--341", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Redmon:1977:CMR, author = "Michael J. Redmon and Robert E. Wyatt", title = "Computational methods for reactive scattering", journal = j-IJQC, volume = "12", number = "S11", pages = "343--351", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Linderberg:1977:PCG, author = "Jan Linderberg", title = "A program for the calculation of ground state and excited state energy surfaces", journal = j-IJQC, volume = "12", number = "S11", pages = "353--357", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Purvis:1977:AMI, author = "George D. Purvis and Yngve {\"O}hrn", title = "Accurate molecular ionization potentials from the electron propagator", journal = j-IJQC, volume = "12", number = "S11", pages = "359--363", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Chipman:1977:MCP, author = "Daniel M. Chipman", title = "Methods for the calculation of photoionization cross sections using the extended {Koopmans}' theorem", journal = j-IJQC, volume = "12", number = "S11", pages = "365--377", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Lundqvist:1977:SME, author = "Stig Lundqvist", title = "Strong many-electron effects in photoelectron spectra", journal = j-IJQC, volume = "12", number = "S11", pages = "379--388", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Szabo:1977:IEB, author = "Attila Szabo and Neil S. Ostlund", title = "Interaction energies between closed-shell systems: {The} correlation energy in the random phase approximation", journal = j-IJQC, volume = "12", number = "S11", pages = "389--395", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Handler:1977:LRC, author = "George S. Handler", title = "Linear response correction to the kinetic energy from {Thomas--Fermi} theory. {A} simple model", journal = j-IJQC, volume = "12", number = "S11", pages = "397--401", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Harris:1977:CCM, author = "Frank E. Harris", title = "Coupled-cluster method for excitation energies", journal = j-IJQC, volume = "12", number = "S11", pages = "403--411", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Zivkovic:1977:ERS, author = "Tomislav P. {\v{Z}}ivkovi{\'c}", title = "Existence and reality of solutions of the coupled-cluster equations", journal = j-IJQC, volume = "12", number = "S11", pages = "413--420", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Monkhorst:1977:CPC, author = "Hendrik J. Monkhorst", title = "Calculation of properties with the coupled-cluster method", journal = j-IJQC, volume = "12", number = "S11", pages = "421--432", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Popkie:1977:MCMb, author = "Herbert E. Popkie and Joyce J. Kaufman", title = "Molecular calculations with the {MODPOT}, {VRDDO}, and {MODPOT\slash VRDDO} procedures. {V}. {Ab} initio and {MODPOT LCAO-MO-SCF} calculations on the chlorofluoromethanes", journal = j-IJQC, volume = "12", number = "S11", pages = "433--443", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Patterson:1977:UBM, author = "Chris W. Patterson and William G. Harter", title = "Unitary bases for molecular electronic configurations", journal = j-IJQC, volume = "12", number = "S11", pages = "445--457", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Curtiss:1977:ICH, author = "L. A. Curtiss", title = "Ab initio calculations on hydrogen bonding in alcohols: {Dimers} of {CH$_3$OH}, {CH$_3$CH$_2$OH}, and {CF$_3$CH$_2$OH}", journal = j-IJQC, volume = "12", number = "S11", pages = "459--467", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Trinajstic:1977:NDH, author = "Nenad Trinajsti{\'c}", title = "New developments in {H{\"u}ckel} theory", journal = j-IJQC, volume = "12", number = "S11", pages = "469--477", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Harter:1977:BCC, author = "William G. Harter and Chris W. Patterson", title = "Bands, clusters, and crystal field splitting: Understanding {SF$_6$} rotational levels", journal = j-IJQC, volume = "12", number = "S11", pages = "479--492", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Ratner:1977:PCI, author = "Mark A. Ratner and Sid Topiol and J. W. Moskowitz", title = "Pseudopotential calculations. {IV}. {Some} results for zinc difluoride", journal = j-IJQC, volume = "12", number = "S11", pages = "493--499", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Pullman:1977:UPS, author = "A. Pullman and N. Gresh and J. P. Daudey and J. W. Moskowitz", title = "The use of pseudopotentials for the study of cation-ligand and intermolecular interactions", journal = j-IJQC, volume = "12", number = "S11", pages = "501--507", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Steinborn:1977:ARB, author = "E. O. Steinborn and E. J. Weniger", title = "Advantages of reduced {Bessel} functions as atomic orbitals. {An} application to {H$^+_2$}", journal = j-IJQC, volume = "12", number = "S11", pages = "509--516", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Schonhammer:1977:THC, author = "K. Sch{\"o}nhammer", title = "Theory of hydrogen chemisorption on transition metals", journal = j-IJQC, volume = "12", number = "S11", pages = "517--527", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Trickey:1977:EPR, author = "S. B. Trickey and J. P. Worth", title = "Electrons and phonons in rare gas crystals: {Numerical} studies of simple local density models", journal = j-IJQC, volume = "12", number = "S11", pages = "529--538", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Zunger:1977:LDF, author = "Alex Zunger and A. J. Freeman", title = "Local density formalism approach to cohesive properties of solids: {Diamond}, {BN}, and {LiF}", journal = j-IJQC, volume = "12", number = "S11", pages = "539--546", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Calais:1977:PTT, author = "Jean-Louis Calais", title = "Is the {Peierls} transition a transition?", journal = j-IJQC, volume = "12", number = "S11", pages = "547--553", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Lin:1977:QMG, author = "Ying-Wei Lin and George {Wolken, Jr.}", title = "Quantum model for gas-solid energy transfer: {Role} of phonon polarization and propagation direction", journal = j-IJQC, volume = "12", number = "S11", pages = "555--571", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Steslicka:1977:DLS, author = "Maria St{\k{e}}{\'s}licka and E. R. Smith", title = "Density of localized states --- Effect of the next-nearest neighbour interaction", journal = j-IJQC, volume = "12", number = "S11", pages = "573--581", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Lipari:1977:EIV, author = "N. O. Lipari and M. J. Rice and C. B. Duke and R. Bozio and A. Girlando and C. Pecile", title = "Electron-intramolecular vibration coupling in {TTF--TCNQ} systems", journal = j-IJQC, volume = "12", number = "S11", pages = "583--594", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Sinkkonen:1977:IBC, author = "J. Sinkkonen and K. Kaski and T. Stubb", title = "Interactions between conduction and magnetic electrons in europium chalcogenides", journal = j-IJQC, volume = "12", number = "S11", pages = "595--606", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Feuchtwang:1977:MBT, author = "T. E. Feuchtwang", title = "Many-body theories of inelastic electron tunneling spectroscopy {(IETS)}: {Experimental} evidence of the inadequacy of the transfer {Hamiltonian} formalism of {IETS}, interpretation and discussion of alternative theories", journal = j-IJQC, volume = "12", number = "S11", pages = "607--624", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120867", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Schfeve:1977:MAD, author = "W. C. Schfeve and J. W. Middleton", title = "On the {Markoffian} approximation in the description of relaxation in open systems", journal = j-IJQC, volume = "12", number = "S11", pages = "625--635", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120868", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Layzer:1977:SMS, author = "David Layzer", title = "The structure of matter and the structure of the astronomical universe", journal = j-IJQC, volume = "12", number = "S11", pages = "637--645", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120869", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Matthias:1977:STB, author = "Bernd T. Matthias", title = "Superconductivity of ternary borides", journal = j-IJQC, volume = "12", number = "S11", pages = "647--649", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120870", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Shavitt:1977:ECC, author = "Isaiah Shavitt and Bruce J. Rosenberg and Surat Palalikit", title = "Erratum: {Comparison} of configuration interaction expansions based on different orbital transformations", journal = j-IJQC, volume = "12", number = "S11", pages = "651--651", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120871", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Shavitt:1976:CCI}. Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Anonymous:1977:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "12", number = "S11", pages = "fmi--fmi", day = "16--22", month = jan, year = "1977", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560120801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 09:38:14 MDT 2011", bibsource = "http://www3.interscience.wiley.com/journalfinder.html; http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Ryback:1978:AMC, author = "W. Ryback and R. Poirier and R. Kari", title = "An application of the method of conjugate gradients to the calculation of minimal basis set localized orbitals", journal = j-IJQC, volume = "13", number = "1", pages = "1--16", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sundaram:1978:NIM, author = "K. Sundaram and R. S. Tyagi", title = "Nonbonded interactions in membrane active cyclic biopolymers. {II}. {Ion} binding by valinomycin", journal = j-IJQC, volume = "13", number = "1", pages = "17--26", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:SPE, author = "R. D. Poshusta", title = "{Singer} polymals. {I}. {Evaluation} of matrix elements", journal = j-IJQC, volume = "13", number = "1", pages = "27--39", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Paldus:1978:RBU, author = "J. Paldus and J. {\v{C}}{\'\i}{\v{z}}k and A. Laforgue", title = "The relationship between the unrestricted and projected {Hartree--Fock} methods in a simple three-electron model system", journal = j-IJQC, volume = "13", number = "1", pages = "41--65", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:RDO, author = "A. J. Coleman", title = "Reduced density operators and the {$N$}-particle problem", journal = j-IJQC, volume = "13", number = "1", pages = "67--82", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lyast:1978:APW, author = "I. Ts. Lyast", title = "The antisymmetrized product of weak nonorthogonal geminals", journal = j-IJQC, volume = "13", number = "1", pages = "83--88", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Percus:1978:RMS, author = "J. K. Percus", title = "The role of model systems in the few-body reduction of the {$N$}-fermion problem", journal = j-IJQC, volume = "13", number = "1", pages = "89--124", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garrod:1978:IFD, author = "Claude Garrod and J. Michael Hannon", title = "Inequalities for fermion density matrices", journal = j-IJQC, volume = "13", number = "1", pages = "125--141", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Henderson:1978:HCP, author = "George A. Henderson", title = "Highly correlated particle densities and idempotent one-densities", journal = j-IJQC, volume = "13", number = "1", pages = "143--148", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tal:1978:NEM, author = "Yoram Tal and Jacob Katriel", title = "On the non-existence of maxima in variational computations containing non-linear parameters", journal = j-IJQC, volume = "13", number = "1", pages = "149--153", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:SRT, author = "Peter Scharfenberg", title = "Some remarks on a transformation satisfying the constraint of maximum similarity of concerned functions", journal = j-IJQC, volume = "13", number = "1", pages = "155--158", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BRB, author = "Anonymous", title = "Book Review: {{\booktitle{Theory and practice of MO calculations on organic molecules}}. I. G. Csizmadia. Elsevier scientific publishing company, Amsterdam, Oxford, New York, 1976. price: \$38.50}", journal = j-IJQC, volume = "13", number = "1", pages = "159--159", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Csizmadia:1976:TPM}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BRBa, author = "Osvaldo Goscinski", title = "Book Review: {{\booktitle{Quanta: A handbook of concepts}}. P. W. Atkins. Oxford chemistry series, 1974. price: \pounds 3.50 (paperback), \pounds 6.50 (hardcover)}", journal = j-IJQC, volume = "13", number = "1", pages = "159--159", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Atkins:1974:QHC,Atkins:1991:QHC}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Aa, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "13", number = "1", pages = "160--160", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "13", number = "1", pages = "fmi--fmii", month = jan, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Martin:1978:TMC, author = "Richard L. Martin and Larry E. McMurchie and Ernest R. Davidson", title = "Transition moment closure tests for ethylene", journal = j-IJQC, volume = "13", number = "2", pages = "161--168", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:ESE, author = "H. H. Michels and R. H. Hobbs and L. A. Wright and J. W. D. Connolly", title = "Electronic structure of excimer molecular lasers", journal = j-IJQC, volume = "13", number = "2", pages = "169--187", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:HLM, author = "Frank E. Harris", title = "Hartree-like methods in electronic structure theory", journal = j-IJQC, volume = "13", number = "2", pages = "189--198", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morikawa:1978:MMO, author = "Tetsuo Morikawa and Y. J. I'haya", title = "Maximum and minimum overlap, localized, and hybrid orbitals for atoms and molecules by means of orthonormality-constrained variation", journal = j-IJQC, volume = "13", number = "2", pages = "199--206", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hatano:1978:CES, author = "Yasuyo Hatano and Tsutomu Nomura and Kiyoshi Tanaka", title = "Calculation of excited states of {H$_2$O} and {NH$_3$} by the one-center expansion approximation", journal = j-IJQC, volume = "13", number = "2", pages = "207--220", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:VTP, author = "P. Csavinszky", title = "A variational treatment of the potential of impurity ions in semiconductors with spatially variable dielectric constants", journal = j-IJQC, volume = "13", number = "2", pages = "221--226", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:AGO, author = "S. Beran and Z. Slanina and D. C. Zidarov", title = "Automatic geometry optimization for molecules with $d$ orbitals. {I}. {General} analytic formulas for derivatives of {Slater} orbitals", journal = j-IJQC, volume = "13", number = "2", pages = "227--233", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:CCP, author = "E. N{\o}rby Svendsen and T. Stroyer-Hansen", title = "{CNDO} calculation of polarizabilities including polarization functions in the basis set", journal = j-IJQC, volume = "13", number = "2", pages = "235--238", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:EST, author = "J. Delhalle and S. Delhalle and F. E. Harris", title = "Evaluation of some trigonometric series occurring in infinite chain polymer calculations", journal = j-IJQC, volume = "13", number = "2", pages = "239--254", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Breton:1978:WAS, author = "J. Breton and A. Hardisson and R. Lefebvre and F. Mauricio", title = "On the windows in the absorption spectrum of an ensemble of oscillators embedding an impurity oscillator", journal = j-IJQC, volume = "13", number = "2", pages = "255--260", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Basu:1978:IBT, author = "Sadhan Basu", title = "Interaction between two harmonic oscillators and spectroscopy of hydrogen bond", journal = j-IJQC, volume = "13", number = "2", pages = "261--262", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BRBb, author = "Osvaldo Goscinski", title = "Book Review: {{\booktitle{Principles of Ultraviolet Photoelectron Spectroscopy}}. J. W. Rabalais. Wiley-Interscience Monographs in Chemical Physics, New York, 1977. Price: \$22.50}", journal = j-IJQC, volume = "13", number = "2", pages = "263--263", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Rabalais:1977:PUP}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "13", number = "2", pages = "fmi--fmii", month = feb, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Adamowicz:1978:CAP, author = "Ludwik Adamowicz", title = "A comparative analysis of pair equations for the {H$_2$} molecule", journal = j-IJQC, volume = "13", number = "3", pages = "265--270", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:ADR, author = "Philip George and Charles W. Bock and Mendel Trachtman and Alistair M. Brett", title = "Attractive-dominant and repulsive-dominant hydrocarbon reactions", journal = j-IJQC, volume = "13", number = "3", pages = "271--295", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rouzo:1978:ADGa, author = "H. Le Rouzo and B. Silvi", title = "Angular dependence of {Gaussian-Lobe} orbitals. {I}. {Analysis} of standard $p$- and $d$-orbitals", journal = j-IJQC, volume = "13", number = "3", pages = "297--310", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rouzo:1978:ADGb, author = "H. Le Rouzo and B. Silvi", title = "Angular dependence of {Gaussian-Lobe} orbitals. {II}. {Set} of axial {Gaussian-Lobe} orbitals", journal = j-IJQC, volume = "13", number = "3", pages = "311--324", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rouzo:1978:ADGc, author = "H. Le Rouzo and B. Silvi", title = "Angular dependence of {Gaussian-Lobe} orbitals. {III}. {Polyhedric} lobe edifices", journal = j-IJQC, volume = "13", number = "3", pages = "325--330", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:EST, author = "L. {\AA}sbrink and C. Fridh and E. Lindholm", title = "Electronic structure of {TCNQ}, studied with {HAM} \slash 3", journal = j-IJQC, volume = "13", number = "3", pages = "331--347", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:IMO, author = "Alan C. Hopkinson and Min H. Lien", title = "An ab initio molecular orbital study of the deprotonation of amines", journal = j-IJQC, volume = "13", number = "3", pages = "349--366", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:CSM, author = "Aldwyn Tang Kai and Sven Larsson", title = "A comparative study of multiple scattering calculations on {CrF$_6^{3-}$}", journal = j-IJQC, volume = "13", number = "3", pages = "367--374", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:USF, author = "Paolo Lazzeretti", title = "On the use of symmetry in first-order perturbed {Hartree--Fock} theory", journal = j-IJQC, volume = "13", number = "3", pages = "375--390", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:SMP, author = "M. Berrondo and A. Flores-Riveros", title = "A simplified model for the predissociation of diatomic molecules", journal = j-IJQC, volume = "13", number = "3", pages = "391--410", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:QMT, author = "Ramakrishna V. Hosur", title = "Quantum-mechanical theory for transport across biological membranes", journal = j-IJQC, volume = "13", number = "3", pages = "411--428", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:LPE, author = "S. Noor Mohammad", title = "{London} potential-energy surfaces for symmetrical alkali trimers", journal = j-IJQC, volume = "13", number = "3", pages = "429--442", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:GFE, author = "N. N. Tyutyulkov", title = "A generalized formula for the energies of alternant molecular orbitals. {II}. {Heteronuclear} molecules", journal = j-IJQC, volume = "13", number = "3", pages = "443--454", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:OSM, author = "Eduardo A. Castro", title = "Optimum scaling in a {Monte Carlo} method for quantum chemistry", journal = j-IJQC, volume = "13", number = "3", pages = "455--456", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "13", number = "3", pages = "fmi--fmii", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:22 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Petrongolo:1978:ILM, author = "Carlo Petrongolo and Harry J. T. Preston and Joyce J. Kaufman", title = "Ab initio {LCAO--MO--SCF} calculation of the electrostatic molecular potential of chlorpromazine and promazine", journal = j-IJQC, volume = "13", number = "4", pages = "457--468", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:RHF, author = "M. M. Mestechkin", title = "Restricted {Hartree--Fock} method instability", journal = j-IJQC, volume = "13", number = "4", pages = "469--481", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:VNI, author = "Andre Julg and Pierre Julg", title = "Vers une nouvelle interpr{\'e}tation de la liaison chimique?. ({French}) [{Toward} a new interpretation of the chemical bond]", journal = j-IJQC, volume = "13", number = "4", pages = "483--497", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", 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{Porta:1978:TDH, author = "Jordi Porta", title = "Thermodynamics of the {DNA} helix-coil transition", journal = j-IJQC, volume = "13", number = "4", pages = "499--507", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rosen:1978:RSO, author = "Arne Ros{\'e}n", title = "Relativistic symmetry orbitals for the double groups {C$_{2v}$}, {C$_{\infty v}$}, {D$_{\infty h}$}, and {O$_h$}", journal = j-IJQC, volume = "13", number = "4", pages = "509--528", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ray:1978:FSG, author = "N. K. Ray and S. P. Mehandru and Shobha Bhargava", title = "Floating spherical {Gaussian} orbital model study of some organometallic systems. {I}. {LiCH$_3$}, {HBeCH$_3$}, and {CH$_3$BeCH$_3$}", journal = j-IJQC, volume = "13", number = "4", pages = "529--536", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:DEM, author = "R. Daudel and H. Le Rouzo and R. Cimiraglia and J. Tomasi", title = "Dependence of the electrostatic molecular potential upon the basis set and the method of calculation of the wave function. {Case} of the ground {$^3$A$_1$} ($\pi \rightarrow \pi$*) and {$^1$A$_1$} ($\pi \rightarrow \pi$*) states of formaldehyde", journal = j-IJQC, volume = "13", number = "4", pages = "537--552", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:DMC, author = "Jack Simons", title = "Dynamics of molecules in contact with an external medium at equilibrium", journal = j-IJQC, volume = "13", number = "4", pages = "553--562", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BRB, author = "Sven Larsson", title = "Book Review: {{\booktitle{Applications of MO theory in organic chemistry}} (Progress in Theoretical Organic Chemistry, Vol. 2). I. G. Csizmadia, Ed. Elsevier Scientific Publishing Company, Amsterdam and New York, 1976. Price: \$69.50, 626 pp}", journal = j-IJQC, volume = "13", number = "4", pages = "563--563", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Csizmadia:1977:AMT}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BRB, author = "Olle M{\aa}rtensson", title = "Book Review: {{\booktitle{Quantum pharmacology}}. W. G. Richards. Butterworths, London and Boston, 1977. price: \$24.95, 213 pp}", journal = j-IJQC, volume = "13", number = "4", pages = "563--564", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Richards:1977:QP}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "13", number = "4", pages = "fmi--fmii", month = apr, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Abu-eittah:1978:MOS, author = "R. Abu-eittah and F. Al-sageir", title = "Molecular orbital study of the electronic absorption spectra of dithienyls", journal = j-IJQC, volume = "13", number = "5", pages = "565--577", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:SDO, author = "M. M. Mestechkin and G. T. Klimko", title = "Spin-Dependent operators in the spin-free quantum chemistry", journal = j-IJQC, volume = "13", number = "5", pages = "579--596", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Benedict:1978:TCS, author = "M. G. Benedict and I. Gyemant", title = "Total cross section of the {SF$_6$} molecule for elastic electron scattering", journal = j-IJQC, volume = "13", number = "5", pages = "597--603", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Piela:1978:EPE, author = "Lucjan Piela and Joseph Delhalle", title = "An efficient procedure to evaluate long-range {Coulombic} interactions within the framework of the {LCAO-CO} method for infinite polymers", journal = j-IJQC, volume = "13", number = "5", pages = "605--617", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:LCB, author = "Erkki Br{\"a}ndas and Piotr Froelich", title = "Level crossings and branch points studied by the multidimensional partitioning technique", journal = j-IJQC, volume = "13", number = "5", pages = "619--626", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:ASM, author = "W{\l}odzimierz Ko{\l}os and El{\.z}bieta Radzio", title = "Application of the statistical method in the theory of intermolecular interactions", journal = j-IJQC, volume = "13", number = "5", pages = "627--634", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:AMC, author = "K. K. Sharma", title = "Additivity model for calculations of {UHF} spin densities in some aza-aromatic radical anions", journal = j-IJQC, volume = "13", number = "5", pages = "635--639", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Barnsley:1978:APE, author = "Michael F. Barnsley and Jacques G. Aguilar", title = "On the approximation of potential-energy functions for two-center systems", journal = j-IJQC, volume = "13", number = "5", pages = "641--677", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:AEP, author = "W. Andrzej Sokalski and Henryk Chojnacki", title = "Approximate exchange perturbation study of intermolecular interactions in molecular complexes", journal = j-IJQC, volume = "13", number = "5", pages = "679--692", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "13", number = "5", pages = "fmi--fmii", month = may, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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:1978:FCR, author = "Anonymous", title = "Fifth conference on reduced density matrices", journal = j-IJQC, volume = "13", number = "6", pages = "693--695", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Erdahl:1978:R, author = "R. M. Erdahl", title = "Representability", journal = j-IJQC, volume = "13", number = "6", pages = "697--718", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:RDM, author = "Eugene S. Kryachko", title = "Reduced-density-matrix theory and algebraic structures", journal = j-IJQC, volume = "13", number = "6", pages = "719--730", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Erdahl:1978:SDC, author = "R. M. Erdahl", title = "On the structure of the diagonal conditions", journal = j-IJQC, volume = "13", number = "6", pages = "731--736", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rosina:1978:ATB, author = "M. Rosina", title = "Application of the two-body density matrix of the ground state for calculations of some excited states", journal = j-IJQC, volume = "13", number = "6", pages = "737--742", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:CRS, author = "Everett G. Larson", title = "Comparisons of the {RPA}, {SCRPA}, {Tamm--Dancoff}, and full {CI} methods by analysis of their transition density matrices, oscillator strengths, and energy moments of oscillator strengths for the electric dipole transitions from the ground state of the {B$^+$} ion (frozen {K}-shell model)", journal = j-IJQC, volume = "13", number = "6", pages = "743--767", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garrod:1978:DMM, author = "Claude Garrod", title = "Density matrix methods in orbital optimization for {MCSCF} calculations", journal = j-IJQC, volume = "13", number = "6", pages = "769--775", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Absar:1978:RHO, author = "Ilyas Absar", title = "Reduced {Hamiltonian} orbitals. {II}. {Optimal} orbital basis sets for the many-electron problem", journal = j-IJQC, volume = "13", number = "6", pages = "777--790", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:RRD, author = "Everett G. Larson", title = "Representable reference density matrices applied to the graphical description of the {Coulomb} hole in the $1s^2(2p)^2$ {$^1S$} state of the {B$^+$} ion", journal = j-IJQC, volume = "13", number = "6", pages = "791--799", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:NDM, author = "C. A. Frishberg and L. J. Massa", title = "Notes on density matrix model for coherent x-ray diffraction", journal = j-IJQC, volume = "13", number = "6", pages = "801--810", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Ab, author = "Anonymous", title = "Announcement", journal = j-IJQC, volume = "13", number = "6", pages = "811--811", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "13", number = "6", pages = "fmi--fmii", month = jun, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560130601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Zuvia:1978:CDA, author = "Marilena Zuvia and Eduardo V. Lude{\~n}a", title = "Charge distribution analysis in terms of {Berlin}'s binding and antibinding regions for {Li$_2$} and {F$_2$}", journal = j-IJQC, volume = "14", number = "1", pages = "1--11", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:IMO, author = "Hiroshi Kashiwagi and Toshikazu Takada and Shigeru Obara and Eisaku Miyoshi and Kimio Ohno", title = "Ab initio molecular orbital calculations of the cobalt porphine complex. {I}. {LCAO SCF MO} calculation of low-spin, high-spin, and $\pi$-ionized states of {Co}-porphine", journal = j-IJQC, volume = "14", number = "1", pages = "13--27", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:SPE, author = "I. Mayer", title = "Spin-projected {EHF} method. {IV}. {Comparison} of potential curves given by different one-electron methods", journal = j-IJQC, volume = "14", number = "1", pages = "29--38", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ball:1978:ESS, author = "John R. Ball and Colin Thomson", title = "Electronic structure of {SiH$_2$}, {PH$_2$}, and their positive and negative ions", journal = j-IJQC, volume = "14", number = "1", pages = "39--53", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:OEF, author = "Flemming J{\o}rgensen", title = "Orientation of the {Eckart} frame in a polyatomic molecule by symmetric orthonormalization", journal = j-IJQC, volume = "14", number = "1", pages = "55--63", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hardisson:1978:ALS, author = "A. Hardisson and F. Mauricio and S. Velasco", title = "Absorption line shape of two coupled oscillators decaying in the same bath", journal = j-IJQC, volume = "14", number = "1", pages = "65--69", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:TMI, author = "W. Grant Cooper", title = "Theory of mutations. {II}. {Physical} model of genetic stability", journal = j-IJQC, volume = "14", number = "1", pages = "71--89", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Krishnan:1978:AFO, author = "R. Krishnan and J. A. Pople", title = "Approximate fourth-order perturbation theory of the electron correlation energy", journal = j-IJQC, volume = "14", number = "1", pages = "91--100", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:ABP, author = "Werner Kutzelnigg", title = "Asymptotic behavior of the primitive function of different ``symmetry-adapted'' perturbation schemes for the {H} ground state", journal = j-IJQC, volume = "14", number = "1", pages = "101--120", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rouzo:1978:DMS, author = "H. Le Rouzo", title = "On the defects of molecular symmetry-lobe orbitals", journal = j-IJQC, volume = "14", number = "1", pages = "121--126", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "1", pages = "fmi--fmii", month = jul, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Kunert:1978:ISNa, author = "A. Kunert", title = "Incompletely symmetric non-{Bloch} electron states in perfect cubic crystals. {I}. {Eigenproblem} and its solution", journal = j-IJQC, volume = "14", number = "2", pages = "127--152", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kunert:1978:ISNb, author = "A. Kunert and S. Olszewski and A. Wierzbicki", title = "Incompletely symmetric non-{Bloch} electron states in perfect cubic crystals. {II}. {Density} of states in the {FCC} lattice", journal = j-IJQC, volume = "14", number = "2", pages = "153--162", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kunert:1978:ISNc, author = "A. Kunert", title = "Incompletely symmetric non-{Bloch} electron states in perfect cubic crystals. {III}. {Density} of dynamical observables in the {FCC} lattice", journal = j-IJQC, volume = "14", number = "2", pages = "163--169", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Resta:1978:SCH, author = "Raffaele Resta", title = "Study of correlation holes. {I}. {Number--sum} rules and infinite system", journal = j-IJQC, volume = "14", number = "2", pages = "171--179", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:DCD, author = "Andr{\'e} Julg and Francis Marinelli and Alain Pell{\'e}gatti", title = "Determination of the charge distribution in nonmetallic crystals. {I}. {Theory} and application to tetrahedrally coordinated solids", journal = j-IJQC, volume = "14", number = "2", pages = "181--190", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dahl:1978:BBS, author = "Jens Peder Dahl", title = "Biorthonormal basis sets and the interaction between one-electron atoms", journal = j-IJQC, volume = "14", number = "2", pages = "191--207", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:MBA, author = "Ramon Carbo and Caterina Arnau", title = "Mathematical basis of approximate {MO} theories: {Origin} of {Mulliken}'s magic formula", journal = j-IJQC, volume = "14", number = "2", pages = "209--212", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Combes:1978:RAP, author = "J. M. Combes and R. Seiler", title = "Regularity and asymptotic properties of the discrete spectrum of electronic {Hamiltonians}", journal = j-IJQC, volume = "14", number = "2", pages = "213--229", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "2", pages = "fmi--fmii", month = aug, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Castro:1978:IHS, author = "Eduardo A. Castro", title = "Iterative hypervirial-scaling method for obtaining wave functions and eigenvalues", journal = j-IJQC, volume = "14", number = "3", pages = "231--237", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:EBS, author = "M. Kertesz and J. Koller and A. A{\v{z}}man", title = "Energy band structure of {(SN)$_x$} chain: {Unrestricted Hartree--Fock} and charge density wave solutions", journal = j-IJQC, volume = "14", number = "3", pages = "239--243", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:SPE, author = "Peter Politzer and Kenneth C. Daiker", title = "Some potential-energy relationships for isoelectronic atomic series", journal = j-IJQC, volume = "14", number = "3", pages = "245--251", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Aronowitz:1978:ICN, author = "S. Aronowitz", title = "Intermolecular correlation in a new approximation scheme", journal = j-IJQC, volume = "14", number = "3", pages = "253--269", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Jeziorski:1978:SFC, author = "Bogumi{\l} Jeziorski and Krzysztof Szalewicz and Grzegorz Cha{\l}asi{\'n}ski", title = "Symmetry forcing and convergence properties of perturbation expansions for molecular interaction energies", journal = j-IJQC, volume = "14", number = "3", pages = "271--287", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Adnan:1978:OOT, author = "S. S. Z. Adnan and S. Bhattacharya and D. Mukherjee", title = "Orbital optimization techniques: {Comparative} study in a semiempirical framework", journal = j-IJQC, volume = "14", number = "3", pages = "289--297", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gilles:1978:SNM, author = "J. M. F. Gilles and J. Philippot", title = "Symmetry of nonrigid molecules and isomerization processes", journal = j-IJQC, volume = "14", number = "3", pages = "299--311", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Morikawa:1978:MCV, author = "Tetsuo Morikawa", title = "Metric-constrained variation method for atoms and molecules", journal = j-IJQC, volume = "14", number = "3", pages = "313--318", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:HIP, author = "S. W. Harrison and S. Swaminathan and David L. Beveridge and Robert Ditchfield", title = "Heuristic intermolecular potential function for the methane--water interaction based on ab initio quantum-mechanical calculations", journal = j-IJQC, volume = "14", number = "3", pages = "319--327", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:SVE, author = "A. B. Sannigrahi and B. R. De", title = "Selected valence-electron split-shell {MO} calculations on {ArF$^+$}, {KrF$^+$}, and {XeF$^+$}", journal = j-IJQC, volume = "14", number = "3", pages = "329--331", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:NAS, author = "Jack Simons", title = "Nature of the autodetaching Sub {$^2$P$_{1/2}$} threshold states of the alkali anions", journal = j-IJQC, volume = "14", number = "3", pages = "333--336", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Niyogi:1978:TIS, author = "B. Guha Niyogi and A. B. Sannigrahi", title = "On the triplet instability in semiempirical {RPA} calculations of conjugated hydrocarbons", journal = j-IJQC, volume = "14", number = "3", pages = "337--340", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BRB, author = "Lawrence J. Dunne", title = "Book Review: {{\booktitle{Intermolecular interactions: From diatomics to biopolymers}}. B. Pullman, ed. John Wiley \& Sons Inc., New York, 1978. Price: \$48.50, 447 pp}", journal = j-IJQC, volume = "14", number = "3", pages = "341--341", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Pullman:1978:IID}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "3", pages = "fmi--fmii", month = sep, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:23 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Bardsley:1978:CSI, author = "J. N. Bardsley", title = "Complex scaling: {An} introduction", journal = j-IJQC, volume = "14", number = "4", pages = "343--352", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Combes:1978:CST, author = "J. M. Combes", title = "Complex scaling transformations in stationary and scattering problems", journal = j-IJQC, volume = "14", number = "4", pages = "353--359", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Balslev:1978:STD, author = "Erik Balslev", title = "Scattering theory of dilated three-body {Schr{\"o}dinger} operators", journal = j-IJQC, volume = "14", number = "4", pages = "361--370", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Junker:1978:CCC, author = "B. R. Junker", title = "Complex coordinate calculations of resonances in {$N$}-electron atoms", journal = j-IJQC, volume = "14", number = "4", pages = "371--382", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Canuto:1978:SRP, author = "Sylvio Canuto and Osvaldo Goscinski", title = "Stationarity of resonant pole trajectories in complex scaling", journal = j-IJQC, volume = "14", number = "4", pages = "383--391", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Cerjan:1978:CCS, author = "C. Cerjan and R. Hedges and C. Holt and W. P. Reinhardt and K. Scheibner and J. J. Wendoloski", title = "Complex coordinates and the {Stark} effect", journal = j-IJQC, volume = "14", number = "4", pages = "393--418", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Brandas:1978:TRM, author = "Erkki Br{\"a}ndas and Piotr Froelich and Michael Hehenberger", title = "Theory of resonances in many-body systems: {Spectral} theory of unbounded {Schr{\"o}dinger} operators, complex scaling, and extended virial theorem", journal = j-IJQC, volume = "14", number = "4", pages = "419--441", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Brandas:1978:EVT, author = "Erkki Br{\"a}ndas and Nils Elander and Piotr Froelich", title = "Extended virial theorem applied to predissociation phenomena. {Interpretation} of the nearly degenerate {$G\,^1\Pi \sim I\,^1\Pi$} energy spectra in {SiO}", journal = j-IJQC, volume = "14", number = "4", pages = "443--456", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Nicolaides:1978:TDC, author = "Cleanthes A. Nicolaides and Donald R. Beck", title = "Time dependence, complex scaling, and the calculation of resonances in many-electron systems", journal = j-IJQC, volume = "14", number = "4", pages = "457--513", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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:1978:GAB, author = "Joyce J. Kaufman and Denis Salahub and Harry J. T. Preston", title = "General applicability of a big molecule {Gaussian SCF\slash CI} program for calculations of excited metastables and of negative ion bound states and resonances. {I}. {Stabilization} method: {H$^-$}", journal = j-IJQC, volume = "14", number = "4", pages = "515--518", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Nuttall:1978:SAC, author = "J. Nuttall", title = "Scattering amplitudes and complex scaling", journal = j-IJQC, volume = "14", number = "4", pages = "519--522", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Doolen:1978:CSA, author = "Gary D. Doolen", title = "Complex scaling: {An} analytic model and some new results for e$^+$ {H} resonances", journal = j-IJQC, volume = "14", number = "4", pages = "523--528", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Simon:1978:RCS, author = "Barry Simon", title = "Resonances and complex scaling: {A} rigorous overview", journal = j-IJQC, volume = "14", number = "4", pages = "529--542", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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:1978:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "4", pages = "fmi--fmii", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "16 Apr 2008", } @Article{Lowdin:1978:I, author = "Per-Olov L{\"o}wdin", title = "Introduction", journal = j-IJQC, volume = "14", number = "4", pages = "iii--ii", month = oct, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = 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{Pople:1978:ECT, author = "J. A. Pople and R. Krishnan and H. B. Schlegel and J. S. Binkley", title = "Electron correlation theories and their application to the study of simple reaction potential surfaces", journal = j-IJQC, volume = "14", number = "5", pages = "545--560", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bartlett:1978:MBP, author = "Rodney J. Bartlett and George D. Purvis", title = "Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem", journal = j-IJQC, volume = "14", number = "5", pages = "561--581", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BDC, author = "Margareta R. A. Blomberg and Per E. M. Siegbahn", title = "Beryllium dimer, a critical test case of {MBPT} and {CI} methods", journal = j-IJQC, volume = "14", number = "5", pages = "583--592", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cederbaum:1978:AMO, author = "L. S. Cederbaum and J. Schirmer and W. Domcke and W. {Von Niessen}", title = "On the adequacy of the molecular-orbital picture for describing ionization processes", journal = j-IJQC, volume = "14", number = "5", pages = "593--601", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BSI, author = "Bernard R. Brooks and Henry F. {Schaefer III}", title = "The {BERKELEY} system. {III}. {General} configuration-interaction methods for open-shell molecular electronic states", journal = j-IJQC, volume = "14", number = "5", pages = "603--612", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:GMO, author = "Michael B. Hall", title = "Generalized-molecular-orbital theory: {Simple} multiconfiguration self-consistent-field method", journal = j-IJQC, volume = "14", number = "5", pages = "613--621", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Houjer:1978:SAM, author = "Germund H{\"o}ujer and Johnson Chung", title = "Some aspects of the model potential method", journal = j-IJQC, volume = "14", number = "5", pages = "623--634", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Silver:1978:UBS, author = "David M. Silver and Stephen Wilson and W. C. Nieuwpoort", title = "Universal basis sets and transferability of integrals", journal = j-IJQC, volume = "14", number = "5", pages = "635--639", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:HPH, author = "Yves G. Smeyers and Angel M. Bruce{\~n}Nta", title = "Half-projected {Hartree--Fock} model for computing potential-energy surfaces", journal = j-IJQC, volume = "14", number = "5", pages = "641--648", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stillinger:1978:PMR, author = "Frank H. Stillinger", title = "Polarization model representation of hydrogen fluoride for use in gas- and condensed-phase studies", journal = j-IJQC, volume = "14", number = "5", pages = "649--657", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Farantos:1978:CDC, author = "S. C. Farantos and J. N. Murrell", title = "Classical dynamics of the {O $+$ ClO $\rightarrow$ Cl $+$ O$_2$} and {Cl $+$ O$_3$ $\rightarrow$ ClO $+$ O$_2$} reactions", journal = j-IJQC, volume = "14", number = "5", pages = "659--674", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:TAI, author = "Mark A. Ratner", title = "Theoretical approaches to intramolecular electron transfer processes", journal = j-IJQC, volume = "14", number = "5", pages = "675--694", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:ECC, author = "Joseph O. Hirschfelder and Kuo-Ho Yang", title = "Equations of change in configuration space", journal = j-IJQC, volume = "14", number = "5", pages = "695--702", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Gelbart:1978:SSA, author = "William M. Gelbart and Paul R. Stannard and Mark L. Elert", title = "Some symmetry aspects of the local-mode description of vibrational structure", journal = j-IJQC, volume = "14", number = "5", pages = "703--708", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:I, author = "Anonymous", title = "Introduction", journal = j-IJQC, volume = "14", number = "5", pages = "iii--iii", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "5", pages = "fmi--fmii", month = nov, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Curtiss:1978:MOS, author = "L. A. Curtiss", title = "Molecular orbital studies of {Al$_2$F$_6$} and {Al$_2$Cl$_6$} using a minimal basis set", journal = j-IJQC, volume = "14", number = "6", pages = "709--715", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Vasudevan:1978:TSV, author = "K. Vasudevan and F. Grein", title = "Theoretical study on the vertical electronic spectrum of carbonyl fluoride, {F$_2$CO}", journal = j-IJQC, volume = "14", number = "6", pages = "717--726", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:CCS, author = "N. Moiseyev and P. R. Certain and F. Weinhold", title = "Complex-coordinate studies of helium autoionizing resonances", journal = j-IJQC, volume = "14", number = "6", pages = "727--736", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lindholm:1978:IES, author = "E. Lindholm and G. Bieri and L. {\AA}sbrink and C. Fridh", title = "Interpretation of electron spectra. {III}. {Spectra} of formamide, studied with {HAM} \slash 3", journal = j-IJQC, volume = "14", number = "6", pages = "737--740", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:BEM, author = "Barbara A. B. Seiders and William L. Luken and Kenneth D. Jordan", title = "Binding of an electron to a molecular dipole: {BeF}", journal = j-IJQC, volume = "14", number = "6", pages = "741--746", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kurtz:1978:TSF, author = "H. A. Kurtz and K. D. Jordan", title = "Theoretical study of {[F$^-$; e$^+$]} and {[CN$^-$; e$^+$]}", journal = j-IJQC, volume = "14", number = "6", pages = "747--755", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hyman:1978:IAX, author = "Arthur S. Hyman and Stuart I. Yaniger and Joel F. Liebman", title = "Interrelations among x-ray scattering, electron densities, and ionization potentials", journal = j-IJQC, volume = "14", number = "6", pages = "757--766", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bouma:1978:IMO, author = "Willem J. Bouma and Mark A. Vincent and Leo Radom", title = "Ab initio molecular orbital studies of sigmatropic rearrangements", journal = j-IJQC, volume = "14", number = "6", pages = "767--777", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:IMO, author = "V. Kothekar and A. Pullman and D. Demoulin", title = "Ab initio molecular-orbital study of the binding of {Zn$^{II}$} with {SH$_2$} and {SH$^-$}", journal = j-IJQC, volume = "14", number = "6", pages = "779--791", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:MCNa, author = "Joyce J. Kaufman and Herbert E. Popkie and Surat Palalikit and P. C. Hariharan", title = "Molecular calculations with the nonempirical ab initio {MODPOT}, {VRDDO}, and {MODPOT} \slash {VRDDO} procedures. {IX}. {Carcinogenic} benzo(a)pyrene and its metabolites using a {MERGE} technique", journal = j-IJQC, volume = "14", number = "6", pages = "793--800", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:PTM, author = "Shih Y. Chang and Harel Weinstein", title = "Perturbation treatment of multiple site reactivity. {II}. {Additivity} in trimolecular interactions", journal = j-IJQC, volume = "14", number = "6", pages = "801--813", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bolis:1978:PAF, author = "G. Bolis and E. Clementi and M. Ragazzi and D. Salvaderi and D. R. Ferro", title = "Preliminary attempt to follow the enthalpy of an enzymatic reaction by ab initio computations: {Catalytic} action of papain", journal = j-IJQC, volume = "14", number = "6", pages = "815--838", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:MCS, author = "Silvano Romano and Enrico Clementi", title = "{Monte Carlo} simulation of water solvent with biomolecules. {Glycine} and the corresponding zwitterion", journal = j-IJQC, volume = "14", number = "6", pages = "839--850", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:OGRa, author = "Theresa Julia Zielinski and Robert Rein", title = "Optimum geometries and relative energies for cytosine, thymine, uracil, the imino tautomer of cytosine, the enol tautomer of thymine, and the enol tautomer of uracil by the {MINDO} \slash 2 {SCF MO} method", journal = j-IJQC, volume = "14", number = "6", pages = "851--860", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1978:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "6", pages = "fmi--fmii", month = dec, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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:1978:LP, author = "Anonymous", title = "{Linus Pauling}", journal = j-IJQC, volume = "14", number = "S5", pages = "3--4", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1978:PLP, author = "Anonymous", title = "Publications of {Linus Pauling}", journal = j-IJQC, volume = "14", number = "S5", pages = "5--8", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Wijkman:1978:IR, author = "Gunnar Wijkman", title = "Introductory remarks", journal = j-IJQC, volume = "14", number = "S5", pages = "9--10", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Eyring:1978:ALP, author = "Henry Eyring", title = "About {Linus Pauling}", journal = j-IJQC, volume = "14", number = "S5", pages = "11--13", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ramachandran:1978:CPT, author = "G. N. Ramachandran", title = "Confirmation of {Pauling}'s theory that vitamin {C} improves immunity to infection", journal = j-IJQC, volume = "14", number = "S5", pages = "15--20", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lavery:1978:MQC, author = "Richard Lavery and Alberte Pullman and Bernard Pullman", title = "Model quantum-chemical studies on the reaction between the candidate proximate carcinogen benzo(a)pyrene-7,8-dihydrodiol-9,10-epoxide and guanine", journal = j-IJQC, volume = "14", number = "S5", pages = "21--34", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Ladik:1978:ESB, author = "J{\'a}nos Ladik and S{\'a}ndor Suhai and Max Seel", title = "Electronic structure of biopolymers and possible mechanisms of chemical carcinogenesis", journal = j-IJQC, volume = "14", number = "S5", pages = "35--49", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Urry:1978:NHS, author = "D. W. Urry", title = "Nonclassical helical states and diverse biological functions of sequential polypeptides", journal = j-IJQC, volume = "14", number = "S5", pages = "51--67", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Renugopalakrishnan:1978:CSC, author = "V. Renugopalakrishnan and H. Sugano and M. A. Khaled and R. S. Rapaka and D. W. Urry", title = "Conformational studies of cyclohexapeptide analogs of elastin sequences: {Cyclo(Ala-Pro-Gly-Ala-Pro-Gly)}", journal = j-IJQC, volume = "14", number = "S5", pages = "69--78", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pullman:1978:SIS, author = "Bernard Pullman and Alberte Pullman and Helene Berthod", title = "{SCF} ab initio study of the ``through-water'' versus ``direct'' binding of the {Na$^+$} and {Mg$^{2+}$} cations to the phosphate anion", journal = j-IJQC, volume = "14", number = "S5", pages = "79--90", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Karle:1978:FAC, author = "Isabella L. Karle", title = "Factors affecting conformations of cyclic polypeptides in the crystalline state", journal = j-IJQC, volume = "14", number = "S5", pages = "91--101", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Gilardi:1978:FST, author = "Richard Gilardi and Jerome Karle", title = "Fibrous structures: {Their} character and the role of interatomic forces in their analysis", journal = j-IJQC, volume = "14", number = "S5", pages = "103--126", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Spangler:1978:DBS, author = "Dale Spangler and Ralph E. Christoffersen", title = "Development of basis sets for molecular calculations. {Comparison} of tetrahedral {Gaussian} lobe functions and {Cartesian Gaussian} basis sets", journal = j-IJQC, volume = "14", number = "S5", pages = "127--135", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Szent-Gyorgyi:1978:LS, author = "Albert Szent-Gy{\"o}rgyi and J. A. McLaughlin", title = "The living state", journal = j-IJQC, volume = "14", number = "S5", pages = "137--141", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Slater:1978:CPH, author = "T. F. Slater and P. A. Riley", title = "Carcinogenicity of polycyclic hydrocarbons and their interaction with {DNA}", journal = j-IJQC, volume = "14", number = "S5", pages = "143--148", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Lewis:1978:CPM, author = "T. J. Lewis", title = "Conduction in protein and methylglyoxal-protein complexes", journal = j-IJQC, volume = "14", number = "S5", pages = "149--158", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pethig:1978:EPP, author = "Ronald Pethig", title = "Electronic properties of protein-methylglyoxal complexes: {Strong} evidence for energy-band conduction", journal = j-IJQC, volume = "14", number = "S5", pages = "159--171", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Miles:1978:CEP, author = "Douglas L. Miles and Henry Eyring", title = "Conformational effects of purine {N3} electronic properties on drug design and cyclic nucleotide metabolism", journal = j-IJQC, volume = "14", number = "S5", pages = "173--190", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Andrea:1978:DDT, author = "Tariq A. Andrea and E. C. Jorgensen and Peter A. Kollman", title = "Differentiation of {D}- and {L-Thyroxine} by the plasma protein prealbumin", journal = j-IJQC, volume = "14", number = "S5", pages = "191--200", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Kaufman:1978:INM, author = "Joyce J. Kaufman and Herbert E. Popkie and Harry J. T. Preston", title = "Ab initio and nonempirical {MODPOT\slash VRDDO} calculations on drugs, carcinogens, suspected teratogens, and biomolecules", journal = j-IJQC, volume = "14", number = "S5", pages = "201--218", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Eigen:1978:AHP, author = "Manfred Eigen", title = "Abstract: {The} hypercycle: {A} principle of natural self-organization", journal = j-IJQC, volume = "14", number = "S5", pages = "219--219", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Davies:1978:SAA, author = "R. H. Davies and R. C. Mason and D. A. Smith and D. J. McNeillie and R. James", title = "Speed of action of anesthetics and hydrogen-bond proton-acceptor properties. {Estimation} of the free energy of interaction of {O$\cdot$H\bond{}O} bonding in hindered phenols based on {CNDO/2} potentials", journal = j-IJQC, volume = "14", number = "S5", pages = "221--243", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Randic:1978:GTA, author = "Milan Randi{\'c}", title = "Graph-theoretical analysis of structure-property and structure-activity correlations", journal = j-IJQC, volume = "14", number = "S5", pages = "245--255", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Domelsmith:1978:PSP, author = "L. N. Domelsmith and K. N. Houk", title = "Photoelectron spectra of psychotropic drugs. {III}. {Ionization} potentials and partition coefficients as predictors of substituted amphetamine psychoactivities", journal = j-IJQC, volume = "14", number = "S5", pages = "257--268", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Shinagawa:1978:MOS, author = "Yoshiya Shinagawa and Yasuko Shinagawa", title = "Molecular orbital studies on m- and p-methylation of substituted catechols by catechol {O}-methyltransferase", journal = j-IJQC, volume = "14", number = "S5", pages = "269--279", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Trindle:1978:SFR, author = "Carl Trindle and E. A. Halevi", title = "Spin-forbidden reaction pathways in the interaction of singlet and triplet molecular oxygen with acetylene", journal = j-IJQC, volume = "14", number = "S5", pages = "281--290", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Politzer:1978:ENI, author = "Peter Politzer and Kenneth C. Daiker and Vernon M. Estes and Michael Baughman", title = "Epoxide--nucleophile interactions: {Acid}-catalyzed reaction of ethylene oxide with water", journal = j-IJQC, volume = "14", number = "S5", pages = "291--299", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Peng:1978:UPS, author = "S. Peng and J. Lin and M. Shahbaz and P. R. Lebreton", title = "Ultraviolet photoelectron studies of 5-trifluoromethyluracil: {Electronic} susceptibility of substituted uracils to nucleophilic attack", journal = j-IJQC, volume = "14", number = "S5", pages = "301--309", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Smith:1978:MCB, author = "Iden A. Smith and Paul G. Seybold", title = "Methylbenz[a]anthracenes: {Correlations} between theoretical reactivity indices and carcinogenicity", journal = j-IJQC, volume = "14", number = "S5", pages = "311--320", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weintraub:1978:CEC, author = "H. J. R. Weintraub and D. E. Nichols", title = "Conformational energy calculations of some amphetamine analogs using a new solvation model", journal = j-IJQC, volume = "14", number = "S5", pages = "321--343", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Vasilescu:1978:KHN, author = "D. Vasilescu and H. Broch and D. Cabrol", title = "Kinked helices in nucleic acids --- a molecular orbital investigation", journal = j-IJQC, volume = "14", number = "S5", pages = "345--354", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Zielinski:1978:OGRb, author = "Theresa Julia Zielinski and Donna L. Breen and Karen Haydock and Robert Rein and Robert D. MacElroy", title = "Optimum geometries and relative energies for guanine, the imino-enol tautomer of guanine, the enol tautomer of guanine, adenine, and the imino tautomer of adenine as found by the {MINDO/2 SCF MO} method", journal = j-IJQC, volume = "14", number = "S5", pages = "355--365", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Klasinc:1978:PSH, author = "L. Klasinc and B. Ru{\v{s}}{\v{c}}i{\v{c}} and F. Kajfe{\v{z}} and V. {\v{S}}unji{\'c}", title = "Photoelectron spectroscopy of the heterocycles imidazole and methylimidazoles", journal = j-IJQC, volume = "14", number = "S5", pages = "367--371", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Klasinc:1978:APS, author = "L. Klasinc", title = "Application of photoelectron spectroscopy to biologically active molecules and their constituent parts. {V}. {Amino} acid methyl esters", journal = j-IJQC, volume = "14", number = "S5", pages = "373--380", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Momany:1978:CEC, author = "F. A. Momany and L. G. Drake and J. R. AuBuchon", title = "Conformational energy calculations on the growth hormone inhibitor: {Somatostatin}", journal = j-IJQC, volume = "14", number = "S5", pages = "381--391", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{DelConde:1978:IGG, author = "Guillermo {Del Conde} and Mirna Estrada and Alberto C{\'a}rdenas", title = "Interaction of glyoxal with glycine and {N-methylacetamide}: {Some} aspects of their potential energy surface and its relation with cancer", journal = j-IJQC, volume = "14", number = "S5", pages = "393--401", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140737", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Loew:1978:BNC, author = "Gilda H. Loew and Robert F. Kirchner", title = "Binding of {O$_2$}, {NO}, and {CO} to model active sites in ferrous heme proteins: {Ligand} geometry, electronic structure, and quadrupole splittings", journal = j-IJQC, volume = "14", number = "S5", pages = "403--415", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140738", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Pack:1978:CSS, author = "George R. Pack and Gilda H. Loew and Shinichi Yamabe and Keiji Morokuma", title = "Comparative study of semiempirical methods for calculating interactions between large molecules with an application to the actinomycin--guanine complex", journal = j-IJQC, volume = "14", number = "S5", pages = "417--432", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140739", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Egan:1978:CBP, author = "John T. Egan and Shlomo Nir and Robert Rein and Robert MacElroy", title = "Configurations of base-pair complexes in solutions", journal = j-IJQC, volume = "14", number = "S5", pages = "433--440", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140740", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Paul:1978:MBM, author = "Carlton H. Paul", title = "Models of biological molecules based on wave function electron densities", journal = j-IJQC, volume = "14", number = "S5", pages = "441--447", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140741", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Weinstein:1978:TMM, author = "Harel Weinstein and Roman Osman and W. Daniel Edwards and Jack P. Green", title = "Theoretical models for molecular mechanisms in biological systems: {Tryptamine} congeners acting on an {LSD--Serotonin} receptor", journal = j-IJQC, volume = "14", number = "S5", pages = "449--461", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140742", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Cooper:1978:CPE, author = "W. Grant Cooper", title = "Comment on possible experimental investigation of the microscopic proton--electron model of the genetic code", journal = j-IJQC, volume = "14", number = "S5", pages = "463--467", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140743", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "18 Jun 2009", } @Article{Anonymous:1978:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "S5", pages = "fmi--fmi", day = "3--11", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:39:47 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 = "18 Jun 2009", } @Article{Nauckhoff:1978:IR, author = "Carl Henric Nauckhoff", title = "Introductory remarks", journal = j-IJQC, volume = "14", number = "S12", pages = "1--4", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Shavitt:1978:MEE, author = "Isaiah Shavitt", title = "Matrix element evaluation in the unitary group approach to the electron correlation problem", journal = j-IJQC, volume = "14", number = "S12", pages = "5--32", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Lindgren:1978:CCA, author = "Ingvar Lindgren", title = "A coupled-cluster approach to the many-body perturbation theory for open-shell systems", journal = j-IJQC, volume = "14", number = "S12", pages = "33--58", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Cohen:1978:PAF, author = "M. Cohen and R. P. Mceachran", title = "{Pad{\'e} approximant} formulas for atomic oscillator strengths", journal = j-IJQC, volume = "14", number = "S12", pages = "59--66", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Hehenberger:1978:WTS, author = "Michael Hehenberger and Erkki Br{\"a}ndas and Nils Elander", title = "{Weyl}'s theory for a system of coupled second-order differential equations", journal = j-IJQC, volume = "14", number = "S12", pages = "67--71", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Kobe:1978:IGI, author = "Donald H. Kobe", title = "Implications of gauge invariance for length versus velocity forms of the interaction with electric dipole radiation", journal = j-IJQC, volume = "14", number = "S12", pages = "73--86", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Nalewajski:1978:SAV, author = "Roman F. Nalewajski", title = "Some applications of the virial theorem to molecular force fields: {The} zero virial reaction coordinate and diatomic potentials from the normalized kinetic field functions", journal = j-IJQC, volume = "14", number = "S12", pages = "87--102", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Steinborn:1978:RBF, author = "E. O. Steinborn and E. J. Weniger", title = "Reduced {Bessel} functions as atomic orbitals: {Some} mathematical aspects and an {LCAO-MO} treatment of {HeH$^{++}$}", journal = j-IJQC, volume = "14", number = "S12", pages = "103--108", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Levin:1978:MBS, author = "F. S. Levin", title = "Many-body scattering theory methods as a basis for molecular structure calculations", journal = j-IJQC, volume = "14", number = "S12", pages = "109--130", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Tantardini:1978:IVB, author = "Gian Franco Tantardini and Massimo Simonetta", title = "Ab initio valence bond calculations. {IX}. {Ionization} potentials of ethylene, allyl radical, {\em trans\/}-, and {\em cis\/}-butadiene", journal = j-IJQC, volume = "14", number = "S12", pages = "131--141", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Born:1978:AIP, author = "Gregory Born and Yngve {\"O}hrn", title = "Alternative inner projections of the superoperator resolvent", journal = j-IJQC, volume = "14", number = "S12", pages = "143--151", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Tal:1978:SED, author = "Y. Tal and R. F. W. Bader", title = "Studies of the energy density functional approach. {I}. {Kinetic} energy", journal = j-IJQC, volume = "14", number = "S12", pages = "153--168", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Baerends:1978:ELH, author = "E. J. Baerends and P. Ros", title = "Evaluation of the {LCAO Hartree--Fock--Slater} method: {Applications} to transition-metal complexes", journal = j-IJQC, volume = "14", number = "S12", pages = "169--190", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Sparks:1978:ICM, author = "Robert A. Sparks", title = "Ab initio calculations on a minicomputer with {128K} bytes of memory", journal = j-IJQC, volume = "14", number = "S12", pages = "191--199", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Petersson:1978:PCG, author = "G. A. Petersson and M. R. Nyden and J. T. Chupka and P. B. Ryan and H. D. Todd", title = "The pairwise-correlated generalized valence bond model of electronic structure. {V}. {A} multiconfiguration overlap approximation for {GVB} pair energies", journal = j-IJQC, volume = "14", number = "S12", pages = "201--218", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Wojcik:1978:TII, author = "Marek J. Wojcik", title = "Theoretical interpretation of the infrared spectra of the hydrogen bond", journal = j-IJQC, volume = "14", number = "S12", pages = "219--231", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Andre:1978:LRC, author = "J. M. Andr{\'e} and J. G. Fripiat and C. H. Demanet and J. L. Br{\'e}das and J. Delhalle", title = "Long-range {Coulombic} interactions in the theory of polymers: {A} statement of the problem and a method for calculation by the {Fourier} transformation technique", journal = j-IJQC, volume = "14", number = "S12", pages = "233--247", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Kwiatkowski:1978:AOW, author = "J. S. Kwiatkowski and D. Perahia and B. Pullman", title = "Aspects of oxopyridine-water interactions", journal = j-IJQC, volume = "14", number = "S12", pages = "249--256", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Michels:1978:ESN, author = "H. H. Michels and R. H. Hobbs and L. A. Wright", title = "Electronic structure of the noble-gas dimer ions", journal = j-IJQC, volume = "14", number = "S12", pages = "257--269", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Pamuk:1978:SEC, author = "H. {\"O}nder Pamuk and Carl Trindle", title = "Semiempirical estimation of correlation energy corrections to ionization potentials and dissociation energies for open-shell systems", journal = j-IJQC, volume = "14", number = "S12", pages = "271--282", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Kaufman:1978:MCNb, author = "Joyce J. Kaufman and Herbert E. Popkie and Harry J. T. Preston", title = "Molecular calculations with the nonempirical ab initio {MODPOT}, {VRDDO}, and {MODPOT\slash VRDDO} procedures. {VIII}. Charge delocalization in the anions of aromatic carboxylic acids and phenolic compounds", journal = j-IJQC, volume = "14", number = "S12", pages = "283--291", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Bonchev:1978:TCM, author = "D. Bonchev and N. Trinajsti{\'c}", title = "On topological characterization of molecular branching", journal = j-IJQC, volume = "14", number = "S12", pages = "293--303", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Hopper:1978:ESH, author = "Darrel G. Hopper", title = "The electronic structure of {HeH$^+_2$}", journal = j-IJQC, volume = "14", number = "S12", pages = "305--322", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Topiol:1978:ECP, author = "Sid Topiol and John A. Pople", title = "Effective core potential calculations for some hydrocarbons", journal = j-IJQC, volume = "14", number = "S12", pages = "323--328", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Coldwell:1978:MCC, author = "R. L. Coldwell and R. E. Lowther", title = "{Monte Carlo} calculation of the {Born--Oppenheimer} potential between two helium atoms using {Hylleraas}-type electronic wave functions", journal = j-IJQC, volume = "14", number = "S12", pages = "329--341", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Levy:1978:PGV, author = "Mel Levy", title = "Pointwise and generalized virial theorems", journal = j-IJQC, volume = "14", number = "S12", pages = "343--344", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Bunge:1978:CAE, author = "Carlos F. Bunge and Annik Vivier Bunge", title = "Calculations of atomic electron affinities", journal = j-IJQC, volume = "14", number = "S12", pages = "345--355", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Koutecky:1978:NSP, author = "Jaroslav Koutecky and Vlasta Bona{\v{c}}i{\v{c}}-Kouteck{\'y} and Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Detlef D{\"o}hnert", title = "Nature of the ``sudden polarization'' effect and its role in photochemistry", journal = j-IJQC, volume = "14", number = "S12", pages = "357--369", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Lathouwers:1978:MSG, author = "L. Lathouwers and P. {Van Leuven}", title = "Molecular spectra and the generator coordinate method", journal = j-IJQC, volume = "14", number = "S12", pages = "371--375", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Hedinger:1978:YSP, author = "R. A. Hedinger and A. E. S. Green", title = "Yield spectrum for protons impacting on helium", journal = j-IJQC, volume = "14", number = "S12", pages = "377--387", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Banerjee:1978:OPG, author = "Ajit Banerjee and Ron Shepard and Jack Simons", title = "One-particle {Green}'s function with multiconfiguration reference states", journal = j-IJQC, volume = "14", number = "S12", pages = "389--404", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Handler:1978:ICE, author = "George S. Handler and Everett W. Larson", title = "The information content of an exact eigenfunction of a physical {Hamiltonian}", journal = j-IJQC, volume = "14", number = "S12", pages = "405--406", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Mehler:1978:SCN, author = "Ernest L. Mehler", title = "Self-consistent, nonorthogonal group function approximation: {Application} to two interacting, rigid {HF} molecules", journal = j-IJQC, volume = "14", number = "S12", pages = "407--417", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Jorgensen:1978:SEM, author = "N. H. J{\o}rgensen and P. B. Pedersen and E. W. Thulstrup and Josef Michl", title = "Semiempirical $\pi$-electron models for the calculation of {MCD B} terms for systems with approximate alternant pairing symmetry. {MCD} of biphenylene", journal = j-IJQC, volume = "14", number = "S12", pages = "419--431", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Simpson:1978:ILM, author = "R. W. Simpson and N. F. Lane and R. C. Chaney", title = "Ab initio {LCAO-MO} cluster-type calculation of the self-consistent electronic screening charge density around a single hydrogen impurity in a nickel crystal", journal = j-IJQC, volume = "14", number = "S12", pages = "433--436", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Johnson:1978:NTM, author = "K. H. Johnson and D. D. Vvedensky and R. P. Messmer", title = "New theoretical model for magnetic impurities and the {Kondo} effect", journal = j-IJQC, volume = "14", number = "S12", pages = "437--439", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Csavinszky:1978:VPL, author = "P. Csavinszky", title = "Variational principle for the {Landau} levels of holes in degenerate bands", journal = j-IJQC, volume = "14", number = "S12", pages = "441--441", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Matthai:1978:FFB, author = "C. C. Matthai and P. J. Grout and N. H. March", title = "Force fields in $d$-band metals", journal = j-IJQC, volume = "14", number = "S12", pages = "443--459", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Chao:1978:MMI, author = "K. A. Chao and A. Ferreira {Da Silva}", title = "Molecular model of impurity bands in semiconductors. {II}. The validity of the one-band {AMO--MT} model", journal = j-IJQC, volume = "14", number = "S12", pages = "461--468", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{DeHosson:1978:LES, author = "J. Th. M. {De Hosson}", title = "Localized electronic states near dislocations in transition metals", journal = j-IJQC, volume = "14", number = "S12", pages = "469--482", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Jones:1978:MFS, author = "Herbert W. Jones and C. A. Weatherford", title = "A modified form of {Sharma}'s formula for {STO} {L{\"o}wdin} alpha functions with recurrence relations for the coefficient matrix", journal = j-IJQC, volume = "14", number = "S12", pages = "483--488", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Gingerich:1978:VBA, author = "Karl A. Gingerich", title = "Valence bond approach for calculating bond energies of diatomic intermetallic compounds with multiple bonds and comparison with experiment", journal = j-IJQC, volume = "14", number = "S12", pages = "489--496", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Papaconstantopoulos:1978:CXR, author = "Dimitrios A. Papaconstantopoulos and David J. Nagel and Christine Jones-Bjorklund", title = "Calculations of {X-Ray} band spectra: {Application} to vanadium", journal = j-IJQC, volume = "14", number = "S12", pages = "497--506", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Pantelides:1978:GFS, author = "S. T. Pantelides and J. Bernholc and J. Pollmann and N. O. Lipari", title = "{Green}'s function scattering-theoretic methods for point defects, surfaces, and interfaces in solids", journal = j-IJQC, volume = "14", number = "S12", pages = "507--521", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Ali:1978:ROD, author = "M. A. Ali and S. R. Samanta", title = "Relative ordering of {$^4$S $^e$}, {$^4$D $^e$}, and {$^4$D$^o$} doubly excited states of lithium isoelectronic sequence", journal = j-IJQC, volume = "14", number = "S12", pages = "523--527", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Matsen:1978:TTI, author = "F. A. Matsen", title = "A theory of thermal isomerization rates", journal = j-IJQC, volume = "14", number = "S12", pages = "529--542", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Bartlett:1978:DSC, author = "Rodney J. Bartlett and Isaiah Shavitt", title = "Determination of the size-consistency error in the single and double excitation configuration interaction model", journal = j-IJQC, volume = "14", number = "S12", pages = "543--544", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Lipari:1978:EIV, author = "N. O. Lipari and M. J. Rice and C. B. Duke and R. Bozio and A. Girlando and C. Pecile", title = "Electron-intramolecular vibration coupling in {TTF-TCNQ} systems", journal = j-IJQC, volume = "14", number = "S12", pages = "545--545", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-state Theory, Collision Phenomena, 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 = "18 Jun 2009", } @Article{Anonymous:1978:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "14", number = "S12", pages = "fmi--fmi", day = "12--18", month = mar, year = "1978", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560140801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 10 17:41:42 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 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 = "18 Jun 2009", } @Article{Ohrn:1978:CCG, author = "Y. {\"O}hrn and J. Linderberg", title = "Characteristics of the Consistent Ground State of the Random Phase of Approximation", journal = j-IJQC, volume = "??", number = "??", pages = "1--18", month = "??", year = "1978", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 3 19:30:28 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", } @Article{Larsson:1979:BDN, author = "S. Larsson and M. Braga", title = "Back donation in {Ni(CO)$_4$}: {Comments} on papers by {K. H. Johnson} and by {K. H. Johnson} and {U. Wahlgren}", journal = j-IJQC, volume = "15", number = "1", pages = "1--5", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hannesson:1979:FNM, author = "Thorsteinn Hannesson and S. M. Blinder", title = "Finite nucleus model for the {Fermi} contact interaction", journal = j-IJQC, volume = "15", number = "1", pages = "7--14", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Roustan:1979:RAS, author = "J. Roustan and M. Dugay", title = "Refined {AMOS} for some organic semiconductors", journal = j-IJQC, volume = "15", number = "1", pages = "15--35", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CSS, author = "Rifaat Hilal", title = "Closed-shell {SCF--CI MO} treatment of all-reactive electrons in complex heteroorganic molecules", journal = j-IJQC, volume = "15", number = "1", pages = "37--47", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nemukhin:1979:DMS, author = "A. V. Nemukhin and N. F. Stepanov", title = "Diatomics-in-molecules study of {LiOH}", journal = j-IJQC, volume = "15", number = "1", pages = "49--56", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rouzo:1979:USS, author = "H. Le Rouzo", title = "On the use of spatial symmetry in atomic-integral calculations: {An} efficient permutational approach", journal = j-IJQC, volume = "15", number = "1", pages = "57--71", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:PCT, author = "R. Lochmann and P. Hobza", title = "{PCILO} calculations on ``true'' {van der Waals} complexes", journal = j-IJQC, volume = "15", number = "1", pages = "73--81", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:AEL, author = "Irene C. Wu and Kenneth J. Miller", title = "Atomic energy levels and oscillator strengths calculated with a screened potential", journal = j-IJQC, volume = "15", number = "1", pages = "83--95", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CUP, author = "Sten Lunell", title = "Comparison of {UHF} and {PHF} methods for hyperfine structure calculations", journal = j-IJQC, volume = "15", number = "1", pages = "97--107", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Anderson:1979:QCR, author = "James B. Anderson", title = "Quantum chemistry by random walk: {H$_4$} square", journal = j-IJQC, volume = "15", number = "1", pages = "109--120", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Goldblum:1979:UOM, author = "A. Goldblum and D. Perahia and A. Pullman", title = "Use of the overlap multipole expansion for approximating molecular electrostatic potentials", journal = j-IJQC, volume = "15", number = "1", pages = "121--129", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pullman:1979:MIA, author = "Bernard Pullman", title = "14th {Meeting} of the international academy of quantum molecular science", journal = j-IJQC, volume = "15", number = "1", pages = "131--131", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Ma, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "15", number = "1", pages = "fmi--fmii", month = jan, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Nerbrant:1979:FOP, author = "P.-O. Nerbrant and B. Roos and A. J. Sadlej", title = "First-order properties and the {Hellmann--Feynman} theorem in the case of a limited {CI} wave function", journal = j-IJQC, volume = "15", number = "2", pages = "135--145", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Epstein:1979:VBS, author = "Saul T. Epstein and Andrzej J. Sadlej", title = "Variable basis sets in perturbation theory: {Numerical} finite perturbation versus analytic approach", journal = j-IJQC, volume = "15", number = "2", pages = "147--167", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ECT, author = "Esper Dalgaard", title = "Expansion and completeness theorems for operator manifolds", journal = j-IJQC, volume = "15", number = "2", pages = "169--180", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:GAN, author = "P. Lazzeretti", title = "Geometric approximation to nuclear spin--spin coupling constants in the water molecule", journal = j-IJQC, volume = "15", number = "2", pages = "181--196", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:END, author = "O. Goscinski and A. Palma", title = "Electron and nuclear density matrices and the separation of electronic and nuclear motion", journal = j-IJQC, volume = "15", number = "2", pages = "197--205", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Brandow:1979:FTE, author = "B. H. Brandow", title = "Formal theory of effective $\pi$-electron {Hamiltonians}", journal = j-IJQC, volume = "15", number = "2", pages = "207--242", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kanazawa:1979:SMS, author = "Tomoko Kanazawa and Haruo Hosoya and Suehiro Iwata", title = "Semiempirical {MO} study on the abnormal bond orders of large networks of highly branched polyenes", journal = j-IJQC, volume = "15", number = "2", pages = "243--257", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:BRBa, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Statistical mechanics}}. J. E. Mayer and M. G. Mayer. 2nd ed. John Wiley \& Sons, Inc., New York, 1977. Price: \pounds 17.50\slash \$29.00}", journal = j-IJQC, volume = "15", number = "2", pages = "259--259", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mb, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "15", number = "2", pages = "fmi--fmii", month = feb, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:24 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Daudel:1979:SQG, author = "R. Daudel and R. A. Poirier and J. D. Goddard and I. G. Csizmadia", title = "Study of the quality of {Gaussian} basis sets for carbon and silicon: {Calculations} on methane and silane", journal = j-IJQC, volume = "15", number = "3", pages = "261--270", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:MQC, author = "Richard Lavery and Bernard Pullman", title = "Model quantum chemical studies of the electronic structure and aspects of reactivity of diol epoxides of aromatic hydrocarbons", journal = j-IJQC, volume = "15", number = "3", pages = "271--280", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Steslicka:1979:SSE, author = "Maria St{\k{e}}{\'s}licka and Krzysztof Kempa", title = "Surface structure and energy spectra of localized states", journal = j-IJQC, volume = "15", number = "3", pages = "281--291", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:MBP, author = "Jean-Louis Ruelle", title = "Modified bielectronic potential method for correlation energy", journal = j-IJQC, volume = "15", number = "3", pages = "293--309", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IHF, author = "Irene Shim and Jens Peder Dahl and Helge Johansen", title = "Ab initio {Hartree--Fock} and configuration-interaction treatment of the interaction between two nickel atoms", journal = j-IJQC, volume = "15", number = "3", pages = "311--331", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Paine:1979:DTD, author = "Douglas A. Paine and William L. Pensinger", title = "A dynamical theory describing superconductant {DNA}", journal = j-IJQC, volume = "15", number = "3", pages = "333--341", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CCG, author = "Yngve {\"O}hrn and Jan Linderberg", title = "Characteristics of the consistent ground state of the random phase approximation", journal = j-IJQC, volume = "15", number = "3", pages = "343--353", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CTM, author = "Eduardo A. Castro", title = "Calculation of total molecular energies from an approximate relation between {SCF} orbital energies and total {SCF} energies", journal = j-IJQC, volume = "15", number = "3", pages = "355--358", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CSS, author = "Massimo Simonetta", title = "Colloquium on the structure small molecules adsorbed on surfaces", journal = j-IJQC, volume = "15", number = "3", pages = "359--359", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mc, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "15", number = "3", pages = "fmi--fmii", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Memory:1979:ESC, author = "J. D. Memory", title = "Electrophilic superdelocalizability and carcinogenesis by polycyclic aromatic hydrocarbons --- {Pullman} theory", journal = j-IJQC, volume = "15", number = "4", pages = "363--368", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ADA, author = "M. Geller and A. Jaworski and A. Pohorille", title = "Atomic dipole approximation and energies of interactions between purine and pyrimidine bases. {I}. {Electrostatic} interactions of adenine with uracil, thymine, thiouracils, dihydrouracil, and 5-fluorouracil", journal = j-IJQC, volume = "15", number = "4", pages = "369--377", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kikuchi:1979:TSH, author = "Takeshi Kikuchi and Kichisuke Nishimoto", title = "Theoretical studies of hemoproteins. {I}. {Mathematical} description of the allosteric effect", journal = j-IJQC, volume = "15", number = "4", pages = "379--387", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Hojer:1979:TPEa, author = "Germund H{\"o}jer", title = "Two-parameter exponential-type basis functions for atomic calculations", journal = j-IJQC, volume = "15", number = "4", pages = "389--401", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Wahlgren:1979:VPS, author = "Ulf Wahlgren and Helge Johansen", title = "Valence photoelectron spectrum of {CoO}. {Ab} initio calculations of energies and relative intensities within a limited {CI} framework", journal = j-IJQC, volume = "15", number = "4", pages = "403--410", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Faegri:1979:NSP, author = "K. {Faegri, Jr.}", title = "Neon {L}-shell photoabsorption cross sections from moment theory and finite basis pseudospectra", journal = j-IJQC, volume = "15", number = "4", pages = "411--421", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CIO, author = "P. George and C. W. Bock and M. Trachtman", title = "Contributions from inner and outer shell electron energies to reaction heats for {C$_1$}, {C$_2$}, and {C$_3$} hydrocarbons", journal = j-IJQC, volume = "15", number = "4", pages = "423--443", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SV, author = "V. H. Smith", title = "{Sagamore VI}", journal = j-IJQC, volume = "15", number = "4", pages = "445--445", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Md, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "15", number = "4", pages = "fmi--fmii", month = apr, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Roothaan:1979:ASN, author = "C. J. Clemens Roothaan and George A. Soukup", title = "Accurate and stable numerical {Hartree--Fock} calculations for atoms. {I}. {The} 1 s$^2$ ground state of {H$^-$}, {He}, {Li$^+$}, and {Be$^{++}$}", journal = j-IJQC, volume = "15", number = "5", pages = "449--462", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saute:1979:CPA, author = "M. Saute and J. Paldus and J. {\v{C}}{\'\i}{\v{z}}ek", title = "Correlation problems in atomic and molecular systems. {VII}. {Application} of the open-shell coupled-cluster approach to simple $\pi$-electron model systems", journal = j-IJQC, volume = "15", number = "5", pages = "463--479", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:RCI, author = "V. Kothekar and S. Dutta", title = "Role of {Ca$^{+2}$} ion in the abortifacient action of prostaglandins. {I}. {Molecular}-orbital and conformation-energy calculations of {PGF$_{2\alpha}$}", journal = j-IJQC, volume = "15", number = "5", pages = "481--489", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sundaram:1979:NIM, author = "K. Sundaram and R. S. Tyagi", title = "Nonbonded interactions in membrane-active cyclic biopolymers. {III}. {Analogs} of valinomycin", journal = j-IJQC, volume = "15", number = "5", pages = "491--497", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ISP, author = "J. S. Kwiatkowski and B. Pullman", title = "Ab initio study of a purine nucleoside: {Adenosine}", journal = j-IJQC, volume = "15", number = "5", pages = "499--510", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:NFA, author = "P. Csavinszky", title = "Note on the {Fermi--Amaldi} correction for the {Thomas--Fermi} theory of atoms", journal = j-IJQC, volume = "15", number = "5", pages = "511--515", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bishop:1979:NOA, author = "David M. Bishop and Lap M. Cheung", title = "Natural orbital analysis of nonadiabatic {H$_2^+$} wave functions", journal = j-IJQC, volume = "15", number = "5", pages = "517--532", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tatewaki:1979:CIS, author = "Hiroshi Tatewaki and Kiyoshi Tanaka and Fukashi Sasaki and Shigeru Obara and Kimio Ohno and Megumu Yoshimine", title = "Configuration-Interaction study of lower excited states of {O$_2$}: {Valence} and {Rydberg} characters of the two lowest {$^3\Sigma_u$}$^-$ states", journal = j-IJQC, volume = "15", number = "5", pages = "533--545", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CII, author = "J. B. Moffat", title = "Cyanide--Isocyanide isomerization in the structural isomers of cyanogen isocyanate", journal = j-IJQC, volume = "15", number = "5", pages = "547--557", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Me, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "15", number = "5", pages = "fmi--fmii", month = may, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Gaspar:1979:IMC, author = "R. G{\'a}sp{\'a}ar and R. {G{\'a}sp{\'a}r, Jr.}", title = "Ab initio molecular calculations with pseudopotentials: calculations of double-zeta quality on {BeH$_2$}, {BH$_3$}, {CH$_4$}, and {C$_2$H$_6$}", journal = j-IJQC, volume = "15", number = "6", pages = "559--566", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IMFa, author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar", title = "Ab initio molecular fragment calculations with pseudopotentials: {Hydrocarbon} calculations of double-zeta quality", journal = j-IJQC, volume = "15", number = "6", pages = "567--578", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SFC, author = "C. R. Sarma and K. V. Dinesha", title = "Spin-Free configuration-interaction study of molecules using single-parameter alternate molecular orbitals", journal = j-IJQC, volume = "15", number = "6", pages = "579--588", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Beebe:1979:MVO, author = "Nelson H. F. Beebe", title = "Modification of Virtual Orbitals", journal = j-IJQC, volume = "15", number = "6", pages = "589--600", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe.bib; https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ITP, author = "M. Mestechkin", title = "Instability threshold and peculiar solutions of {Hartree--Fock} equations", journal = j-IJQC, volume = "15", number = "6", pages = "601--610", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:GDM, author = "John E. Harriman", title = "Geometry of density matrices. {III}. {Spin} components", journal = j-IJQC, volume = "15", number = "6", pages = "611--643", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:USF, author = "Paolo Lazzeretti and Riccardo Zanasi", title = "On the use of symmetry in first-order perturbed {HF} theory. {II}", journal = j-IJQC, volume = "15", number = "6", pages = "645--653", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IVB, author = "Gian Franco Tantardini and Massimo Simonetta", title = "Ab initio valence bond calculations. {X}. {Vertical} valence ionization potentials of allene and butatriene", journal = j-IJQC, volume = "15", number = "6", pages = "655--662", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SPG, author = "Milan Randi{\'c}", title = "Symmetry properties of graphs of interest in chemistry. {II}. {Desargues--Levi} graph", journal = j-IJQC, volume = "15", number = "6", pages = "663--682", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:FOT, author = "Stephen Wilson and David M. Silver", title = "Fourth-Order terms in the diagrammatic perturbation expansion for the electronic energy of atoms and molecules", journal = j-IJQC, volume = "15", number = "6", pages = "683--692", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:NIS, author = "A. Go{\l}{\k{e}}biewski", title = "New iterative scheme for a simultaneous calculation of $m$ first eigenstates of a real symmetric matrix", journal = j-IJQC, volume = "15", number = "6", pages = "693--700", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IPM, author = "Leszek Z. Stolarczyk and Lucjan Piela", title = "Invariance properties of the multipole expansion with respect to the choice of the coordinate system", journal = j-IJQC, volume = "15", number = "6", pages = "701--711", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Philippot:1979:OAN, author = "J. Philippot and I. Sengers", title = "Optical activity of nonrigid molecules", journal = j-IJQC, volume = "15", number = "6", pages = "713--715", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:PMH, author = "Bernard J. Laurenzi", title = "Power moments of hydrogenic {Green}'s functions and {Green}'s functions of the second kind", journal = j-IJQC, volume = "15", number = "6", pages = "717--729", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150615", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Garritz:1979:SPM, author = "Andoni Garritz and Jos{\'e} Luis G{\'a}zquez and Miguel Castro and Jaime Keller", title = "Space partitioning in multiple scattering techniques. {I}. {Hydrogen} molecular ion and hydrogen molecule", journal = j-IJQC, volume = "15", number = "6", pages = "731--744", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150616", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IUH, author = "H. Vogler", title = "Improved uncoupled {Hartree--Fock} ({IUCHF}) perturbation methods and bounds for the second-order energy in coupled {Hartree--Fock} perturbation theory", journal = j-IJQC, volume = "15", number = "6", pages = "745--750", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150617", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SFQ, author = "F. A. Matsen and C. J. Nelin", title = "Spin-Free {Quantum Chemistry}. {XXI}. {Hartree--Fock} theory", journal = j-IJQC, volume = "15", number = "6", pages = "751--767", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150618", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IIP, author = "S. Noor Mohammad", title = "Improved interaction potential for alkali halide molecules", journal = j-IJQC, volume = "15", number = "6", pages = "769--782", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150619", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:PAG, author = "C. V. Prasad and K. Sundaram", title = "On the polarity of the amide group and its impact on dipeptide conformation", journal = j-IJQC, volume = "15", number = "6", pages = "783--792", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150620", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Stilbs:1979:BRB, author = "Peter Stilbs", title = "Book Review: {{\booktitle{Nuclear magnetic resonance spectroscopy in molecular biology. Proceedings of the Eleventh Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem. Israel, April 3--7. 1978}}. B. Pullman, Ed. D. Riedel Publishing Company, Dordrecht, Holland. 1978. 532 pp. Price: \$56.00}", journal = j-IJQC, volume = "15", number = "6", pages = "793--793", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150621", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Pullman:1978:NMR}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mf, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "15", number = "6", pages = "fmi--fmii", month = jun, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560150601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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:1979:P, author = "Per-Olov L{\"o}wdin", title = "Preface", journal = j-IJQC, volume = "16", number = "1", pages = "1--2", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160102", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Christoffersen:1979:I, author = "Ralph E. Christoffersen", title = "Introduction", journal = j-IJQC, volume = "16", number = "1", pages = "3--4", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160103", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Davydov:1979:SBM, author = "A. S. Davydov", title = "Solitons, bioenergetics, and the mechanism of muscle contraction", journal = j-IJQC, volume = "16", number = "1", pages = "5--17", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160104", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Govil:1979:OPB, author = "Girjesh Govil and Ramakrishna V. Hosur", title = "Organization of phospholipids in biological membranes", journal = j-IJQC, volume = "16", number = "1", pages = "19--29", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160105", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Biczo:1979:ISR, author = "G. Bicz{\'o} and I. Lukovits", title = "Are intermediate states responsible for certain specific properties of biological macromolecules?", journal = j-IJQC, volume = "16", number = "1", pages = "31--42", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160106", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bogach:1979:CCE, author = "P. G. Bogach and V. L. Zyma and A. M. Shakhovsky and V. M. Danilova", title = "Conformational changes and excitation energy transfer in myosin--auramine {O} system", journal = j-IJQC, volume = "16", number = "1", pages = "43--50", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160107", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:WCQ, author = "George G. Hall", title = "What can quantum chemistry contribute to biology?", journal = j-IJQC, volume = "16", number = "1", pages = "51--56", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160108", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IMFb, author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar", title = "Ab initio molecular fragment calculations with pseudopotentials", journal = j-IJQC, volume = "16", number = "1", pages = "57--64", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160109", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:EPC, author = "K. Jankowski and P. Malinowski and M. Polasik", title = "Electron pair correlation energies for {ZN$^{2+}$}", journal = j-IJQC, volume = "16", number = "1", pages = "65--70", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160110", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuprievich:1979:REC, author = "V. A. Kuprievich and Z. G. Kudritskaya and V. E. Klymenko", title = "Role of electron correlation in the quantum-mechanical calculations of the {Coulomb} interaction energy in the {DNA} base pairs", journal = j-IJQC, volume = "16", number = "1", pages = "71--77", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160111", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:MCT, author = "Z. Slanina", title = "Multimolecular clusters: {Their} isomerism and effective characteristics evaluated by quantum chemistry", journal = j-IJQC, volume = "16", number = "1", pages = "79--86", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160112", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:EFA, author = "B. Vernon Cheney and Timothy Tolly", title = "Electronic factors affecting receptor binding of dibenzo-p-dioxins and dibenzofurans", journal = j-IJQC, volume = "16", number = "1", pages = "87--110", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160113", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tinoco:1979:CDL, author = "Ignacio {Tinoco, Jr.}", title = "Circular dichroism of large molecules", journal = j-IJQC, volume = "16", number = "1", pages = "111--117", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160114", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Volkov:1979:SAD, author = "S. N. Volkov", title = "Some aspects of the {DNA} hypochromic effect theory", journal = j-IJQC, volume = "16", number = "1", pages = "119--132", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160115", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Petrov:1979:MET, author = "E. G. Petrov", title = "Mechanisms of electron transfer through proteins", journal = j-IJQC, volume = "16", number = "1", pages = "133--152", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160116", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Khutorsky:1979:CAD, author = "V. E. Khutorsky and V. I. Poltev", title = "Conformational analysis of double-helical polynucleotides", journal = j-IJQC, volume = "16", number = "1", pages = "153--157", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160117", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nelson:1979:CMR, author = "Donald J. Nelson and Anthony D. Theoharides and Andra C. Nieburgs and Richard K. Murray and Federico Gonzalez-Fernandez and Daeg S. Brenner", title = "Carbon-13 magnetic resonance study of lanthanide-substituted muscle calcium binding parvalbumins", journal = j-IJQC, volume = "16", number = "1", pages = "159--174", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160118", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TMSa, author = "Richard Lavery and Bernard Pullman", title = "Theoretical model study of the reactivity of benzo(a)pyrene diol epoxide with the amino groups of the nucleic acid bases", journal = j-IJQC, volume = "16", number = "1", pages = "175--188", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160119", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ivanov:1979:CPD, author = "V. I. Ivanov and V. B. Zhurkin and S. K. Zavriev and Yu. P. Lysov and L. E. Minchenkova and E. E. Minyat and M. D. Frank-Kamenetskii and A. K. Schyolkina", title = "Conformational possibilities of double-helical nucleic acids: {Theory} and experiment", journal = j-IJQC, volume = "16", number = "1", pages = "189--201", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160120", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mg, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "1", pages = "fmi--fmii", month = jul, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160101", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Frischleder:1979:QCS, author = "H. Frischleder and R. Lochmann", title = "Quantum-Chemical and semiclassical calculations of intermolecular interactions of phospholipids", journal = j-IJQC, volume = "16", number = "2", pages = "203--213", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160202", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:EMO, author = "V. K. Fedyanin and L. V. Yakushevich", title = "Energy migration in one-dimensional structures with resonance interaction", journal = j-IJQC, volume = "16", number = "2", pages = "215--219", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160203", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:QCP, author = "Joyce J. Kaufman", title = "Quantum chemical and physicochemical influences on structure--activity relations and drug design", journal = j-IJQC, volume = "16", number = "2", pages = "221--241", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160204", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Carsky:1979:ICA, author = "P. {\v{C}}{\'a}rsky and R. Zahradn{\'\i}k", title = "Ab initio calculations and absolute rate theory. {Critical} test for a series of elementary gas-phase reactions", journal = j-IJQC, volume = "16", number = "2", pages = "243--256", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160205", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:REF, author = "P. Hobza and P. {\v{C}}{\'a}rsky and R. Zahradn{\'\i}k", title = "Role of entropy in formation of {van der Waals} complexes", journal = j-IJQC, volume = "16", number = "2", pages = "257--260", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160206", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:GAM, author = "Danuta Jeziorek and Bronislaw {\.Z}urawski", title = "Geometry of ammonia molecule in the lowest triplet state estimated theoretically", journal = j-IJQC, volume = "16", number = "2", pages = "261--264", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160207", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:EIM, author = "G. N{\'a}ray-Szab{\'o}", title = "Electrostatic isopotential maps for large biomolecules", journal = j-IJQC, volume = "16", number = "2", pages = "265--272", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160208", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Lozes:1979:EES, author = "Richard Lozes and John R. Sabin", title = "Excited electronic states of a hydrogen bond: {Bifluoride} ion", journal = j-IJQC, volume = "16", number = "2", pages = "273--275", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160209", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ICI, author = "Danuta Jeziorek and Bronis{\l}aw {\.Z}urawski", title = "Ab initio calculations including electron correlation for the minimum energy path of the {($^1$A$_1$) CH$_2$ $+$ ($^1\Sigma$)H$_2$ $\rightarrow$ ($^1$A$_1$) CH$_4$} insertion reaction", journal = j-IJQC, volume = "16", number = "2", pages = "277--292", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160210", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TSS, author = "Andrzej Sawaryn and W. Andrzej Sokalski", title = "Theoretical studies on substrate binding to the active site of carbonic anhydrase", journal = j-IJQC, volume = "16", number = "2", pages = "293--298", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160211", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ICT, author = "Henryk Chojnacki", title = "Intermolecular charge transfer in model hydrogen-bonded systems --- biological implications", journal = j-IJQC, volume = "16", number = "2", pages = "299--309", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160212", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Dolphin:1979:HPM, author = "David Dolphin and Anthony W. Addison and Max Cairns and Robert K. Dinello and Nicholas P. Farrell and Brian R. James and Donald R. Paulson and Curtis Welborn", title = "Heme proteins and metalloporphyrins: {Redox} chemistry and oxygen binding", journal = j-IJQC, volume = "16", number = "2", pages = "311--329", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160213", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Maggiora:1979:ARC, author = "Gerald M. Maggiora", title = "Assessment of reaction center special-pair chlorophyll models", journal = j-IJQC, volume = "16", number = "2", pages = "331--352", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160214", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TCR, author = "S. G. Christov", title = "Theory of chemical reactions in condensed media and its applications to biological processes", journal = j-IJQC, volume = "16", number = "2", pages = "353--366", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160215", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Andronikashvili:1979:CPB, author = "E. L. Andronikashvili and G. M. Mrevlishvili and G. Sh. Japaridze and V. M. Sokhadze", title = "Conformational properties of biomacromolecules (proteins and nucleic acids) at low temperatures and the problem of interaction of biopolymers with water molecules and ions of dissolved salts", journal = j-IJQC, volume = "16", number = "2", pages = "367--377", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160216", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TCA, author = "Hans-J{\"o}rg Hofmann and Gustav Peinel and Thilo Weller", title = "Theoretical conformational analysis considering solvent effects", journal = j-IJQC, volume = "16", number = "2", pages = "379--386", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160217", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sheina:1979:CTI, author = "G. G. Sheina and E. D. Radchenko and S. A. Egupov and Yu. P. Blagoy and V. M. Orlov", title = "Charge transfer interactions between nucleic acid bases and strong acceptors", journal = j-IJQC, volume = "16", number = "2", pages = "387--394", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160218", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pullman:1979:MEP, author = "Alberte Pullman and Chrystyna Zakrzewska and David Perahia", title = "Molecular electrostatic potential of the {B-DNA} helix. {I}. {Region} of the guanine--cytosine base pair", journal = j-IJQC, volume = "16", number = "2", pages = "395--403", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160219", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mh, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "2", pages = "fmi--fmii", month = aug, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160201", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:25 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Ptitsyn:1979:MPF, author = "O. B. Ptitsyn and A. V. Finkelstein", title = "Mechanism of protein folding", journal = j-IJQC, volume = "16", number = "3", pages = "407--418", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160302", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Likhtenstein:1979:SPE, author = "G. I. Likhtenstein and A. I. Kotelnikov and A. W. Kulikov and L. A. Syrtsova and V. R. Bogatyrenko and A. I. Melnikov and E. N. Frolov and A. I. Berg", title = "Some peculiarities of the electronic transfer in redox enzymes", journal = j-IJQC, volume = "16", number = "3", pages = "419--435", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160303", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Makarov:1979:IIG, author = "A. A. Makarov and D. R. Monaselidze and N. G. Esipova", title = "Intermolecular interactions of globular proteins in the crystal state", journal = j-IJQC, volume = "16", number = "3", pages = "437--444", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160304", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kaplan:1979:MSI, author = "I. G. Kaplan", title = "Modern state of intermolecular interaction theory", journal = j-IJQC, volume = "16", number = "3", pages = "445--465", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160305", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sklenar:1979:MSB, author = "Heinz Sklenar and Joachim J{\"a}ger", title = "Molecular structure--biological activity relationships on the basis of quantum-chemical calculations", journal = j-IJQC, volume = "16", number = "3", pages = "467--484", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160306", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:MOS, author = "L. Turi Nagy and P. Pelik{\'a}n and M. Li{\v{s}}ka and M. Haring and M. {\v{C}}eppan and M. Breza", title = "Molecular orbital study of molecular nitrogen fixation", journal = j-IJQC, volume = "16", number = "3", pages = "485--500", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160307", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Saute:1979:GSQ, author = "M. Saute and A. Laforgue", title = "Generalization of the second quantization operators: {Electron} attachment and detachment operators", journal = j-IJQC, volume = "16", number = "3", pages = "501--507", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160308", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Tichy:1979:PCB, author = "Milo{\v{n}} Tichy", title = "Possible connection between lipophilicity and steric substituent constants", journal = j-IJQC, volume = "16", number = "3", pages = "509--515", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160309", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "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 author name??", } @Article{Zhorov:1979:RBS, author = "B. S. Zhorov and V. A. Govyrin", title = "Relationship between spatial structure and pharmacological activity of a series of $\beta$-adrenomimetics", journal = j-IJQC, volume = "16", number = "3", pages = "517--525", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160310", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Plotnikov:1979:RPR, author = "V. G. Plotnikov", title = "Regularities of the processes of radiationless conversion in polyatomic molecules", journal = j-IJQC, volume = "16", number = "3", pages = "527--541", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160311", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nepras:1979:IAB, author = "Milo{\v{s}} Nepra{\v{s}} and Milo{\v{s}} Titz", title = "Influence of annelation by benzene ring on electronic absorption spectra and on character of the singlet $\pi$--$\pi$* transitions at polynuclear p-quinones", journal = j-IJQC, volume = "16", number = "3", pages = "543--555", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160312", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Onipko:1979:TES, author = "A. I. Onipko", title = "Theory of the excitation spectrum of nondiagonal disordered systems", journal = j-IJQC, volume = "16", number = "3", pages = "557--571", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160313", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Christoffersen:1979:ESP, author = "Ralph E. Christoffersen", title = "Electronic structural properties and photosynthesis", journal = j-IJQC, volume = "16", number = "3", pages = "573--604", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160314", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TPB, author = "R. Czermi{\'n}ski and B. Lesyng and A. Pohorille", title = "Tautomerism of pyrimidine bases --- uracil, cytosine, isocytosine: {Theoretical} study with complete optimization of geometry", journal = j-IJQC, volume = "16", number = "3", pages = "605--613", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160315", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CNC, author = "Andrzej Jaworski and Irena Ekiel", title = "Calculations of {$^1$H} {NMR} coupling constants for conformational studies of isomeric pentofuranosyl nucleosides", journal = j-IJQC, volume = "16", number = "3", pages = "615--622", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160316", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kosevich:1979:ELM, author = "A. M. Kosevich and V. L. Galkin and M. L. Polyakov", title = "Effect of low-molecular impurity on the melting of {DNA}-type macromolecules", journal = j-IJQC, volume = "16", number = "3", pages = "623--629", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160317", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Demoulin:1979:QMS, author = "D. Demoulin and A-M. Armbruster and B. Pullman", title = "Quantum-mechanical study of the interaction of glyoxal with arginine", journal = j-IJQC, volume = "16", number = "3", pages = "631--639", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160318", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pullman:1979:MSA, author = "A. Pullman and D. Demoulin", title = "Model studies on the active site of carbonic anhydrase: {Ligand} properties and {CO$_2$} binding", journal = j-IJQC, volume = "16", number = "3", pages = "641--653", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160319", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Malenkov:1979:III, author = "G. G. Malenkov and A. V. Gagua and V. P. Timofeev", title = "Influence of intermolecular interactions on the {DNA} conformation", journal = j-IJQC, volume = "16", number = "3", pages = "655--668", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160320", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Pullman:1979:RDM, author = "B. Pullman", title = "Recent developments on the mechanism of chemical carcinogenesis by aromatic hydrocarbons", journal = j-IJQC, volume = "16", number = "3", pages = "669--689", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160321", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mi, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "3", pages = "fmi--fmii", month = sep, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160301", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Mishra:1979:EBE, author = "R. K. Mishra and K. Bhaumik and S. C. Mathur and S. Mitra", title = "Excitons and {Bose--Einstein} condensation in living systems", journal = j-IJQC, volume = "16", number = "4", pages = "691--706", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160402", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Popov:1979:QAC, author = "E. M. Popov", title = "Quantitative approach to conformations of proteins", journal = j-IJQC, volume = "16", number = "4", pages = "707--737", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160403", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Marinov:1979:PET, author = "B. S. Marinov", title = "Photoinduced electron transport across protein-containing membranes", journal = j-IJQC, volume = "16", number = "4", pages = "739--743", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160404", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Moskalenko:1979:BCP, author = "S. A. Moskalenko and E. P. Pokatilov and M. F. Miglei and E. S. Kiselyova", title = "{Bose} condensation of phonons in biological systems", journal = j-IJQC, volume = "16", number = "4", pages = "745--752", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160405", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Strelko:1979:QCI, author = "V. V. Strelko and K. D. Lavrinenko-Ometzinskaja and T. A. Karaseva and L. V. Pisarzhevsky", title = "Quantum-Chemical investigation of cation motion mechanism in modes of biological channels with phosphate groups", journal = j-IJQC, volume = "16", number = "4", pages = "753--760", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160406", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TET, author = "V. A. Zasukha and S. V. Volkov", title = "Theory of electron transfer in donor--acceptor pairs", journal = j-IJQC, volume = "16", number = "4", pages = "761--767", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160407", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Almazov:1979:IBE, author = "V. P. Almazov and Yu. V. Morozov and F. A. Savin and B. S. Sukhareva", title = "Interrelations between electronic structure and spatial geometry of specific ligands in the functioning active site of some pyridoxal-p-dependent enzymes", journal = j-IJQC, volume = "16", number = "4", pages = "769--775", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160408", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Volkenstein:1979:ECI, author = "M. V. Volkenstein and I. B. Golovanov and V. M. Sobolev", title = "Electron-conformational interactions and functioning of enzyme molecules", journal = j-IJQC, volume = "16", number = "4", pages = "777--789", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160409", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Volkenstein:1979:IIP, author = "M. V. Volkenstein and I. B. Golovanov and V. M. Sobolev", title = "Interfragment interactions in peptide molecules", journal = j-IJQC, volume = "16", number = "4", pages = "791--797", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160410", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Shilov:1979:MSR, author = "V. V. Shilov and N. E. Kruglyak and Yu. S. Lipatov", title = "Modeling of the short-range order for polymers by the ideal peak method", journal = j-IJQC, volume = "16", number = "4", pages = "799--808", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160411", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kliger:1979:SPS, author = "David S. Kliger", title = "Spectroscopic and photochemical studies of model visual pigment chromophores", journal = j-IJQC, volume = "16", number = "4", pages = "809--817", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160412", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bolotina:1979:DSS, author = "I. A. Bolotina and V. O. Chekhov and V. Yu. Lugauskas", title = "Determination of the secondary structures of proteins by circular dichroism spectra. {Calculation} of the protein basic circular dichroism spectra for antiparallel and parallel $\beta$-structures and $\beta$-bends", journal = j-IJQC, volume = "16", number = "4", pages = "819--824", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160413", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ESP, author = "F. A. Savin and Yu. V. Morozov and A. V. Borodavkin and V. O. Chekhov and E. I. Budowsky and N. A. Simukova", title = "Electronic structure of the pyrimidine and purine components of nucleic acids in their ground and lower excited singlet and triplet states", journal = j-IJQC, volume = "16", number = "4", pages = "825--831", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160414", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kuprievich:1979:TSE, author = "V. A. Kuprievich and O. V. Shramko", title = "Theoretical study of electronic spectra of the {DNA} bases", journal = j-IJQC, volume = "16", number = "4", pages = "833--837", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160415", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bolotin:1979:TIB, author = "Adolph B. Bolotin and Victor A. Bolotin and Victoria L. Gineityte", title = "Torsional isomerization of biologically active bicyclic molecules", journal = j-IJQC, volume = "16", number = "4", pages = "839--845", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160416", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Frisman:1979:ISS, author = "E. V. Frisman and S. V. Slonitsky and A. N. Veselkov", title = "Influence of solvent structure on the conformation of the native {DNA} molecule", journal = j-IJQC, volume = "16", number = "4", pages = "847--855", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160417", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Khokhlov:1979:CFL, author = "A. R. Khokhlov", title = "Conditions of formation of liquid crystals from biopolymer solutions", journal = j-IJQC, volume = "16", number = "4", pages = "857--862", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160418", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SII, author = "V. I. Poltev", title = "Simulation of intermolecular and intramolecular interactions of nucleic acid subunits by means of atom--atom potential functions", journal = j-IJQC, volume = "16", number = "4", pages = "863--868", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160419", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sarkisov:1979:SNG, author = "G. N. Sarkisov and Yu. V. Agrafonov and G. A. Martynov", title = "Solvation of nonpolar groups of biomacromolecules", journal = j-IJQC, volume = "16", number = "4", pages = "869--875", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160420", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Kharkyanen:1979:MCS, author = "V. N. Kharkyanen and L. N. Khristoforov and V. V. Kukhtin and E. G. Petrov", title = "Mechanisms of charge separation in bacterial photosynthesis", journal = j-IJQC, volume = "16", number = "4", pages = "877--882", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160421", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Mineyev:1979:OOI, author = "A. P. Mineyev and Yu. A. Sharonov and N. A. Sharonova and V. A. Figlovsky", title = "Orbit--orbit interaction in the {NO--Fe(II)} Hemoproteins studied by the low-temperature magnetic circular dichroism: {Dynamic Jahn--Teller} effect detected by {MCD}", journal = j-IJQC, volume = "16", number = "4", pages = "883--889", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160422", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Markovsky:1979:QCI, author = "L. N. Markovsky and O. M. Polumbrik and A. M. Nesterenko", title = "Quantum-chemical investigation of spatial and electronic structure of verdazyl and its derivatives", journal = j-IJQC, volume = "16", number = "4", pages = "891--895", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160423", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IWD, author = "E. Clementi and G. Corongiu", title = "Interaction of water with {DNA} single and double helix in the {B} conformation", journal = j-IJQC, volume = "16", number = "4", pages = "897--915", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160424", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Nagata:1979:MAC, author = "Chikayoshi Nagata and Masahiko Kodama and Teruyuki Kimura and Tami{\'e} Yamaguchi", title = "Metabolic activation of chemical carcinogens and binding of metabolites with nucleic acid bases", journal = j-IJQC, volume = "16", number = "4", pages = "917--930", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160425", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Bazhin:1979:ESP, author = "N. M. Bazhin and B. I. Yakobson and A. I. Burshtein", title = "Estimation of some parameters of the exchange mechanism of luminescence decay", journal = j-IJQC, volume = "16", number = "4", pages = "931--935", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160426", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mj, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "4", pages = "fmi--fmii", month = oct, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160401", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Espinoza:1979:QMD, author = "Ll. Espinoza and A. Toro and P. Fuentealba", title = "Quadrupole moments, dipole quadrupole {A} and quadrupole {C} polarizabilities by means of perturbation theory", journal = j-IJQC, volume = "16", number = "5", pages = "939--954", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160502", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Meunier:1979:DCP, author = "A. Meunier and B. Levy", title = "Difficulties in the computation of physical observables due to a truncated {CI}", journal = j-IJQC, volume = "16", number = "5", pages = "955--972", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160503", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Crotov:1979:TFV, author = "S. S. Crotov and A. A. Ischenko and L. S. Ivashkevich", title = "Thermodynamic functions for vibronic systems", journal = j-IJQC, volume = "16", number = "5", pages = "973--983", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160504", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CCP, author = "Sylvio Canuto and Osvaldo Goscinski", title = "Continuum contribution to polarizabilities and scaling", journal = j-IJQC, volume = "16", number = "5", pages = "985--991", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160505", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:APT, author = "E. J. Br{\"a}ndas and C. H. Obcemea", title = "Analytic perturbation theory and localization phenomena", journal = j-IJQC, volume = "16", number = "5", pages = "993--1007", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160506", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:DAI, author = "Paul G. Mezey and Raymond Daudel and Imre G. Csizmadia", title = "Dependence of approximate ab initio molecular loge sizes on the quality of basis functions", journal = j-IJQC, volume = "16", number = "5", pages = "1009--1019", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160507", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SMT, author = "Luiz G. Ferreira and Adalberto Fazzio and Huberto Closs and Luiz M. Brescansin", title = "Study of the muffin-tin approximation in the multiple-scattering method", journal = j-IJQC, volume = "16", number = "5", pages = "1021--1031", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160508", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Harcourt:1979:VBS, author = "Richard D. Harcourt and Walter Roso", title = "Valence-bond studies of four-electron three-center bonding units. {II}. {FNO}, {HNO}, {LiNO}, {LiON}, and {HF$_2^-$}", journal = j-IJQC, volume = "16", number = "5", pages = "1033--1049", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160509", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:ESS, author = "S. K. Srivastava and P. C. Mishra", title = "Electronic structure, spectra, and mechanism of photodimerization of pyrimidine bases", journal = j-IJQC, volume = "16", number = "5", pages = "1051--1068", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160510", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Ruedenberg:1979:MOT, author = "K. Ruedenberg and L. M. Cheung and S. T. Elbert", title = "{MCSCF} optimization through combined use of natural orbitals and the {Brillouin--Levy--Berthier} theorem", journal = j-IJQC, volume = "16", number = "5", pages = "1069--1101", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160511", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Cheung:1979:ERD, author = "L. M. Cheung and K. R. Sundberg and K. Ruedenberg", title = "Electronic rearrangements during chemical reactions. {II}. {Planar} dissociation of ethylene", journal = j-IJQC, volume = "16", number = "5", pages = "1103--1139", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160512", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TOO, author = "R. Czermi{\'n}ski and B. Lesyng and A. Pohorille", title = "Tautomerism of oxopyridines and oxopyrimidines: {Theoretical} study with complete optimization of geometry", journal = j-IJQC, volume = "16", number = "5", pages = "1141--1148", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160513", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IMH, author = "Pratibha Jolly", title = "Improved minimization for the {Hylleraas} six-parameter wave function", journal = j-IJQC, volume = "16", number = "5", pages = "1149--1150", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160514", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TIS, author = "A. B. Sannigrahi and B. Guha Niyogi", title = "Triplet instability in semiempirical {RPA} calculations of conjugated systems containing heteroatoms", journal = j-IJQC, volume = "16", number = "5", pages = "1151--1155", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160515", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:BRBb, author = "Jean-Louis Calais", title = "Book Review: {{\booktitle{Crystals as giant molecules}}. Lecture notes in chemistry, no. 9. by A. Julg. Springer-Verlag, Berlin, 1978. 142 pp}", journal = j-IJQC, volume = "16", number = "5", pages = "1157--1157", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160516", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "See \cite{Julg:1978:CGM}.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mk, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "5", pages = "fmi--fmii", month = nov, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160501", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Kibler:1979:DAC, author = "M. Kibler and E. Elbaz", title = "Diagram approach to character formulas for finite and compact groups", journal = j-IJQC, volume = "16", number = "6", pages = "1161--1194", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160602", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SCS, author = "C. R. Sarma and K. V. Dinesha", title = "Subduction coefficients for {$<2^{N/2 - S}, 1^{2S}> \downarrow <2^{N_1/2 -S_1}, 1^{2S_1}> \otimes <2^{N_2 /2 } - S_2>, 1^{2S_2}>$} of {$U(n) \downarrow U(n_1) \otimes U(n_2)$}", journal = j-IJQC, volume = "16", number = "6", pages = "1195--1207", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160603", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:PGF, author = "Ajit Banerjee and John W. {Kenney III} and Jack Simons", title = "Polarization {Green}'s function with multiconfiguration self-consistent-field reference states", journal = j-IJQC, volume = "16", number = "6", pages = "1209--1237", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160604", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:DIB, author = "G. C. Shukla and S. I. Easa", title = "Dispersion interaction between helium pair from hydrodynamic analogy to quantum mechanics", journal = j-IJQC, volume = "16", number = "6", pages = "1239--1247", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160605", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{vanDijk:1979:CCA, author = "W. van Dijk and M. Razavy", title = "Collinear collision of an atom with a homonuclear diatomic molecule", journal = j-IJQC, volume = "16", number = "6", pages = "1249--1263", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160606", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TIDa, author = "John Avery", title = "Transferable Integrals in a Deformation Density Approach to Crystal Orbital Calculations. {I}", journal = j-IJQC, volume = "16", number = "6", pages = "1265--1277", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160607", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TIDb, author = "John Avery and Erik Berg", title = "Transferable Integrals in a Deformation Density Approach to Crystal Orbital Calculations. {II}", journal = j-IJQC, volume = "16", number = "6", pages = "1279--1299", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160608", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Rosenkrantz:1979:CPW, author = "Marcy E. Rosenkrantz and Daniel D. Konowalow", title = "Composition of the partial wave expansion as a parameter in the {MSX$\alpha$} scheme", journal = j-IJQC, volume = "16", number = "6", pages = "1301--1305", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160609", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CIM, author = "P. E. S. Wormer and J. Paldus", title = "Configuration interaction matrix elements. {I}. {Algebraic} approach to the relationship between unitary group generators and permutations", journal = j-IJQC, volume = "16", number = "6", pages = "1307--1319", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160610", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CIM, author = "J. Paldus and P. E. S. Wormer", title = "Configuration interaction matrix elements. {II}. {Graphical} approach to the relationship between unitary group generators and permutations", journal = j-IJQC, volume = "16", number = "6", pages = "1321--1335", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160611", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Basu:1979:FEM, author = "Biswajit Basu and R. D. Tiwari and Arun K. Dey", title = "Free-electron molecular-orbital treatment of chalcone group of dyes", journal = j-IJQC, volume = "16", number = "6", pages = "1337--1346", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160612", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Flament:1979:EMM, author = "J. P. Flament and H. P. Gervais", title = "Equations-of-motion method: {Calculation} of the k lowest or highest solutions", journal = j-IJQC, volume = "16", number = "6", pages = "1347--1356", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160613", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Oct 2004", } @Article{Sakamoto:1979:EUD, author = "Kazuyoshi Sakamoto and Toshitaka Terasaka", title = "Effective utilization of off-diagonal hypervirial relations considering diagonal hypervirial relation: {Harmonic} oscillator case", journal = j-IJQC, volume = "16", number = "6", pages = "1357--1368", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160614", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Ml, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "6", pages = "fmi--fmii", month = dec, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160601", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Mon Oct 3 08:58:26 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Pullman:1979:R, author = "Bernard Pullman", title = "Reminiscences", journal = j-IJQC, volume = "16", number = "S6", pages = "33--45", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160702", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:Mm, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "S6", pages = "33--45", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160701", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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{Politzer:1979:RHB, author = "Peter Politzer and Kenneth C. Daiker and Vernon M. Estes", title = "The role of hydrogen bonding in some diol epoxides", journal = j-IJQC, volume = "16", number = "S6", pages = "47--53", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160703", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:GTS, author = "Milan Randi{\'c} and Charles L. Wilkins", title = "Graph theoretical study of structural similarity in benzomorphans", journal = j-IJQC, volume = "16", number = "S6", pages = "55--71", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160704", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Hanson:1979:ALE, author = "Louise Karle Hanson", title = "Axial ligand effects on iron and manganese porphyrins: {Extended} {H{\"u}ckel} calculations of cyt {P450} analogs and of {O$_2$} binding to iron and manganese", journal = j-IJQC, volume = "16", number = "S6", pages = "73--87", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160705", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Estrada:1979:EAG, author = "Mirna Estrada and Guillermo {Del Conde}", title = "Electron affinities of glyoxal, methylglyoxal, and vitamin {C}: {Some} aspects of the interaction between vitamin {C} and a protein model", journal = j-IJQC, volume = "16", number = "S6", pages = "89--92", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160706", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Rohmer:1979:ESP, author = "Marie-Madeleine Rohmer and Gilda H. Loew", title = "Electronic structure and properties of model oxy and carboxy ferrous cytochrome {P450}: {Comparison} of semiempirical and ab-initio calculations", journal = j-IJQC, volume = "16", number = "S6", pages = "93--104", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160707", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Shillady:1979:DOG, author = "Donald D. Shillady and Sheryl Baldwin-Boisclair", title = "Dipole-optimized {Gaussian} orbitals for rapid computation of electrostatic molecular potential contour maps", journal = j-IJQC, volume = "16", number = "S6", pages = "105--114", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160708", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:RNC, author = "M. Sundaralingam and E. Westhof", title = "The ``rigid'' nucleotide concept in perspective", journal = j-IJQC, volume = "16", number = "S6", pages = "115--130", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160709", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Dhingra:1979:TEH, author = "M. M. Dhingra and Ramaswamy H. Sarma", title = "Transmission, evolution, and helix handedness of nucleic acid conformation", journal = j-IJQC, volume = "16", number = "S6", pages = "131--152", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160710", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kulkarni:1979:CSP, author = "Vithal M. Kulkarni and N. Vasanthkumar and Anil Saran and Girjesh Govil", title = "Conformational structure of propranolol: {A} $\beta$-adrenergic blocking drug studied by {NMR} and {PCILO} methods", journal = j-IJQC, volume = "16", number = "S6", pages = "153--170", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160711", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Cooper:1979:PTH, author = "W. Grant Cooper", title = "Proton transitions in hydrogen bonds of {DNA}: {A} first-order perturbation model", journal = j-IJQC, volume = "16", number = "S6", pages = "171--188", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160712", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Les:1979:MCC, author = "A. Les and I. Ortega Blake", title = "Magnesium and calcium cation-ligand interactions within the pseudopotential approach. {I}. {Cation}-water interaction", journal = j-IJQC, volume = "16", number = "S6", pages = "189--201", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160713", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:IBA, author = "R. H. Davies and D. A. Smith and D. J. McNeillie and T. R. Morris", title = "Identification of biologically active conformations in flexible drug molecules", journal = j-IJQC, volume = "16", number = "S6", pages = "203--221", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160714", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979: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 benzo(a)pyrene and its metabolites", journal = j-IJQC, volume = "16", number = "S6", pages = "223--257", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160715", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:AAC, author = "Gilda Loew and B. S. Sudhindra and S. Burt and G. R. Pack and R. Macelroy", title = "Aromatic amine carcinogenesis: {Activation} and interaction with nucleic acid bases", journal = j-IJQC, volume = "16", number = "S6", pages = "259--281", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160716", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Syren:1979:IGT, author = "Robert M. Syren and Charles R. Windsor and Sidney W. Fox", title = "Inhibition of glyoxalase {I} by thermal copolyamino acids", journal = j-IJQC, volume = "16", number = "S6", pages = "283--288", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160717", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TCT, author = "D. W. Urry and A. Spisni and M. A. Khaled and M. M. Long and L. Masotti", title = "Transmembrane channels and their characterization in phospholipid structures", journal = j-IJQC, volume = "16", number = "S6", pages = "289--303", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160718", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Berger:1979:SEC, author = "Gregory D. Berger and Paul G. Seybold", title = "Substituent effects in chemical carcinogenesis: {Chrysene} and its methyl derivatives", journal = j-IJQC, volume = "16", number = "S6", pages = "305--311", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160719", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:GGC, author = "G. L. Findley and S. P. McGlynn", title = "A generalized genetic code", journal = j-IJQC, volume = "16", number = "S6", pages = "313--327", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160720", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Fromhold:1979:DES, author = "A. T. Fromhold", title = "Difference equation solutions for hopping transport of ions through membranes", journal = j-IJQC, volume = "16", number = "S6", pages = "329--342", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160721", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CEH, author = "C. Mahalingam Venkatachalam and Dan W. Urry", title = "Conformational energetics of $\beta$-helical transmembrane channels and voltage-dependent conductance of {poly-(Ala-Ala-GIy)}", journal = j-IJQC, volume = "16", number = "S6", pages = "343--351", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160722", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Perahia:1979:MEP, author = "D. Perahia and A. Pullman and B. Pullman", title = "Molecular electrostatic potential of the {B-DNA} helix. {V}. {Poly(dG$\cdot$dC)} and {poly(dA$\cdot$dT)}", journal = j-IJQC, volume = "16", number = "S6", pages = "353--363", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160723", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:QMS, author = "D. Cabrol and H. Broch and D. Vasilescu", title = "Quantum mechanical study of {(Gly-Pro-Pro)} repetitive unit in relation to collagen structure", journal = j-IJQC, volume = "16", number = "S6", pages = "365--375", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160724", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Mehler:1979:ICP, author = "E. L. Mehler", title = "Ab-initio calculations on protein secondary structure: {Preliminary} studies of hydrogen bonding in the $\alpha$ helix and the $3_{10}$ helix", journal = j-IJQC, volume = "16", number = "S6", pages = "377--379", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160725", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SSM, author = "George R. Pack and Gilda H. Loew", title = "Semiempirical studies of the mechanism of models for the {N}-hydroxylation of amines by cytochrome {P450}", journal = j-IJQC, volume = "16", number = "S6", pages = "381--390", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160726", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Kwiatkowski:1979:MSM, author = "J{\'o}zef S. Kwiatkowski and Bogdan Lesyng", title = "Modified {$\pi$--SCF MO CI} calculations for anionic forms of pyrimidinic nucleic acid bases", journal = j-IJQC, volume = "16", number = "S6", pages = "391--408", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160727", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Langlet:1979:SSE, author = "J. Langlet and P. Claverie and B. Pullman and D. Piazzola", title = "Studies of solvent effects. {IV}. {Study} of hydration of the dimethyl phosphate anion {(DMP$^-$)} and of the solvent effect upon its conformation", journal = j-IJQC, volume = "16", number = "S6", pages = "409--437", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160728", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:CAC, author = "P. R. Andrews and G. P. Jones", title = "Conformational analysis of convulsant and anticonvulsant barbiturates", journal = j-IJQC, volume = "16", number = "S6", pages = "439--452", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160729", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Butt:1979:CEC, author = "Glenn Butt and Roderich Walter and V. Renugopalakrishnan and M. E. Druyan", title = "Conformational energy calculations on the {CNS}-active peptide {Pro-Leu-Gly-NH$_2$}", journal = j-IJQC, volume = "16", number = "S6", pages = "453--458", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160730", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:PTS, author = "Richard Lavery and Mar{\c{c}}al {De Oliveira} and Bernard Pullman", title = "A preliminary theoretical study of the acid catalyzed hydration of glyoxal, methylglyoxal, and other simple aldehydes", journal = j-IJQC, volume = "16", number = "S6", pages = "459--466", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160731", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TMSb, author = "Richard Lavery and Bernard Pullman", title = "A theoretical model study of the mechanism of action of the enzyme glyoxylase {I}", journal = j-IJQC, volume = "16", number = "S6", pages = "467--474", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160732", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Zielinski:1979:ISE, author = "Theresa Julia Zielinski and Masayuki Shibata and Robert Rein", title = "Ab-initio {STO-3G} energy of tautomerism for uracil", journal = j-IJQC, volume = "16", number = "S6", pages = "475--480", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160733", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Rein:1979:TIE, author = "Robert Rein and Thomas Kieber-Emmons", title = "Theory of ionic effects on intermolecular interactions in polyions: {Application} to ethidium binding to {DNA}", journal = j-IJQC, volume = "16", number = "S6", pages = "481--489", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160734", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/", onlinedate = "19 Jun 2009", } @Article{Prado:1979:IQM, author = "F. Ribas Prado and C. Giessner-Prettre and B. Pullman", title = "Ab initio quantum-mechanical calculations of the variation of the magnetic shielding constant of hydrogen and carbon 13 nuclei of the dimethylphosphate anion as a function of molecular conformation: {A} model study for nucleic acid constituents", journal = j-IJQC, volume = "16", number = "S6", pages = "491--501", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160735", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:SSO, author = "Joyce J. Kaufman", title = "Spin, symmetry, and orbital filling restrictions indicate the necessity for ab-initio configuration interaction calculations in several fundamental chemical carcinogenesis problems", journal = j-IJQC, volume = "16", number = "S6", pages = "503--510", day = "4--10", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160736", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:28 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology.", acknowledgement = ack-nhfb, ajournal = "Int. 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:1979:TIDc, author = "J. Avery", title = "Transferable Integrals in a Deformation Density Approach to Crystal Orbital Calculations. {III}", journal = j-IJQC, volume = "16", number = "S13", pages = "403--412", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Wed Jan 03 18:58:46 1996", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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/", } @Article{Wilson:1979:EQM, author = "E. Bright Wilson", title = "{Einstein} and quantum mechanics", journal = j-IJQC, volume = "16", number = "S13", pages = "1--4", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160802", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Wilson:1979:DMS, author = "E. Bright Wilson", title = "On the definition of molecular structure in quantum mechanics", journal = j-IJQC, volume = "16", number = "S13", pages = "5--14", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160803", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Ostlund:1979:CCM, author = "Neil S. Ostlund", title = "Chemistry, computers, and microelectronics: {Present} and future prospects", journal = j-IJQC, volume = "16", number = "S13", pages = "15--38", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160804", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Thulstrup:1979:BCI, author = "Poul W. Thulstrup and Jan Linderberg", title = "Bounds to {Coulomb} Interaction Integrals", journal = j-IJQC, volume = "16", number = "S13", pages = "39--50", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160805", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Mcdowell:1979:IBS, author = "Keith Mcdowell", title = "The incomplete basis set problem. {III}. {Virtual} orbitals and the {CIBS} expansion of {Hartree--Fock} energies", journal = j-IJQC, volume = "16", number = "S13", pages = "51--58", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160806", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Poshusta:1979:SPI, author = "R. D. Poshusta", title = "{Singer} polymals. {II}. {Tempering} methods", journal = j-IJQC, volume = "16", number = "S13", pages = "59--66", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160807", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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/", keywords = "exponential quadratic function (polymals)", onlinedate = "18 Jun 2009", } @Article{Talman:1979:CSA, author = "J. D. Talman and P. S. Ganas and A. E. S. Green", title = "Comparative studies of atomic independent-particle potentials", journal = j-IJQC, volume = "16", number = "S13", pages = "67--76", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160808", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Hojer:1979:TPEb, author = "Germund H{\"o}jer", title = "Two-parameter exponential-type basis functions for atomic calculations. {II}", journal = j-IJQC, volume = "16", number = "S13", pages = "77--80", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160809", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Adawi:1979:PES, author = "I. Adawi", title = "Perturbation expansion of the single-particle density matrix", journal = j-IJQC, volume = "16", number = "S13", pages = "81--92", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160810", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Roothaan:1979:IMM, author = "Clemens C. J. Roothaan and John Detrich and Darrel G. Hopper", title = "An improved {MCSCF} method", journal = j-IJQC, volume = "16", number = "S13", pages = "93--101", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160811", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Smith:1979:DFT, author = "Darwin W. Smith and Salem Jagannathan and George S. Handler", title = "Density functional theory of atomic structure. {I}. {Exchange} and correlation potentials for two-electron atoms", journal = j-IJQC, volume = "16", number = "S13", pages = "103--110", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160812", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Handler:1979:DFT, author = "George S. Handler and Darwin W. Smith", title = "Density functional theory of quantum mechanical systems. {II}. {Accurate} potential and energy functionals and their representations", journal = j-IJQC, volume = "16", number = "S13", pages = "111--114", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160813", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Csavinszky:1979:AVS, author = "P. Csavinszky", title = "Approximate variational solution of the {Thomas--Fermi--Amaldi} equation for singly charged negative ions", journal = j-IJQC, volume = "16", number = "S13", pages = "115--120", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160814", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Larson:1979:RSR, author = "Everett G. Larson", title = "The role of symmetry in representing reduced density operators and reduced transition density operators: {General} formulation with specific application to atomic systems", journal = j-IJQC, volume = "16", number = "S13", pages = "121--140", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160815", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Costas:1979:MPS, author = "M. Costas and A. Garritz", title = "The {MS} potential from a set of overlapping densities", journal = j-IJQC, volume = "16", number = "S13", pages = "141--162", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160816", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Mintmire:1979:LMX, author = "J. W. Mintmire", title = "{LCAO} methods in the {X$\alpha$} formalism: {A} comparison of results for the {F$_2$} molecule", journal = j-IJQC, volume = "16", number = "S13", pages = "163--168", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160817", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Kobeissi:1979:AER, author = "Hafez Kobeissi and Mounzer Dagher", title = "Analytic expression of the rotation-vibration eigenfunction of any electronic potential of a diatomic molecule", journal = j-IJQC, volume = "16", number = "S13", pages = "169--174", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160818", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Kai:1979:MXM, author = "Aldwyn H. Tang Kai and Leon L. Combs", title = "A {MS--X$\alpha$--MT} study of cyclobutane", journal = j-IJQC, volume = "16", number = "S13", pages = "175--182", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160819", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Buchler:1979:VSL, author = "J. R. Buchler and J. Perdang", title = "{De vibrantibus systematibus lente autonomiterque evolventibus}. ({Latin}) []", journal = j-IJQC, volume = "16", number = "S13", pages = "183--187", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160820", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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/", language = "Latin", onlinedate = "18 Jun 2009", } @Article{Harris:1979:RON, author = "J. Harris", title = "The role of occupation numbers in {HKS} theory", journal = j-IJQC, volume = "16", number = "S13", pages = "189--193", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160821", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Hall:1979:GMO, author = "Michael B. Hall", title = "Generalized molecular orbital theory: {Ground} state and ionization potentials of water and dinitrogen", journal = j-IJQC, volume = "16", number = "S13", pages = "195--203", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160822", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Ihaya:1979:TPG, author = "Y. J. I'haya and Tetsuo Morikawa and Junji Nakano", title = "Theoretical prediction of g tensors and hyperfine coupling tensors of triplet molecules", journal = j-IJQC, volume = "16", number = "S13", pages = "205--214", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160823", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Westhaus:1979:EHQ, author = "Paul A. Westhaus", title = "Effective {Hamiltonians} and the quasidegeneracy problem: {Calculations} on ethylene", journal = j-IJQC, volume = "16", number = "S13", pages = "215--223", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160824", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Pople:1979:DSH, author = "J. A. Pople and R. Krishnan and H. B. Schlegel and J. S. Binkley", title = "Derivative studies in {Hartree--Fock} and {M{\o}ller--Plesset} theories", journal = j-IJQC, volume = "16", number = "S13", pages = "225--241", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160825", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Gresh:1979:IIR, author = "N. Gresh and P. Claverie and A. Pullman", title = "Intermolecular interactions: {Reproduction} of the results of ab initio supermolecule computations by an additive procedure", journal = j-IJQC, volume = "16", number = "S13", pages = "243--253", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160826", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Hariharan:1979:NIM, author = "P. C. Hariharan and Herbert E. Popkie and Joyce J. Kaufman", title = "Nonempirical ab initio {MODPOT}, {VRDDO}, and {MODPOT\slash VRDDO} calculations. {X}. {The} attack of the simplest ultimate carcinogen, {CH$_3^+$}, on guanine by a {MERGE} technique and a possible fundamental difference between methylating versus ethylating ultimate carcinogens", journal = j-IJQC, volume = "16", number = "S13", pages = "255--265", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160827", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Duke:1979:ESL, author = "C. B. Duke", title = "Electronic structure of large molecules: {CNDO/S3} model", journal = j-IJQC, volume = "16", number = "S13", pages = "267--281", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160828", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Andre:1979:NMP, author = "J. M. Andr{\'e} and L. A. Burke and J. Delhalle and G. Nicolas and P. H. Durand", title = "A nonempirical model potential technique for calculations of band structures of polymers", journal = j-IJQC, volume = "16", number = "S13", pages = "283--291", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160829", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Klein:1979:LRO, author = "D. J. Klein", title = "Long-range order for spin pairing in valence bond theory", journal = j-IJQC, volume = "16", number = "S13", pages = "293--303", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160830", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Matsen:1979:UGF, author = "F. A. Matsen", title = "The unitary-group formulation of coupled-cluster many-electron theory", journal = j-IJQC, volume = "16", number = "S13", pages = "305--309", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160831", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Nelin:1979:UGF, author = "C. J. Nelin", title = "The unitary-group formulation of the open-shell random-phase approximation", journal = j-IJQC, volume = "16", number = "S13", pages = "311--320", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160832", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Salem:1979:MCR, author = "L. Salem", title = "The mechanism of the chemical reaction, with recent developments pertaining to heterogeneous catalysis", journal = j-IJQC, volume = "16", number = "S13", pages = "321--330", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160833", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Fink:1979:NIA, author = "William H. Fink and Aldona M. Butkus and Jesus P. Lopez", title = "A novel ab initio approach to problems of electronic structure calculations of the gas-solid interface", journal = j-IJQC, volume = "16", number = "S13", pages = "331--347", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160834", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Fazzio:1979:PDC, author = "A. Fazzio and M. J. Caldas and J. R. Leite", title = "Point defects in covalent semiconductors: {A} molecular cluster model", journal = j-IJQC, volume = "16", number = "S13", pages = "349--361", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160835", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Singhal:1979:PDA, author = "S. P. Singhal and J. Callaway", title = "Point defects in aluminum: {Single} vacancy", journal = j-IJQC, volume = "16", number = "S13", pages = "363--366", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160836", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "18 Jun 2009", } @Article{Hosson:1979:KSL, author = "J. T. H. M. {De Hosson} and W. {Van Der Lugt}", title = "The {Knight} shift in liquid binary alloys: {An} application of quantum chemistry in liquid- and solid-state physics", journal = j-IJQC, volume = "16", number = "S13", pages = "367--375", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160837", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Gazquez:1979:EGM, author = "Jos{\'e} Luis G{\'a}zquez and Elba Ort{\'\i}z and Jaime Keller", title = "Electron gas model for inhomogeneous systems", journal = j-IJQC, volume = "16", number = "S13", pages = "377--385", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160838", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Calais:1979:DIS, author = "Jean-Louis Calais", title = "Direct and indirect solutions of gap equations", journal = j-IJQC, volume = "16", number = "S13", pages = "387--393", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160839", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Leite:1979:VCM, author = "Jos{\'e} R. Leite and Armando C. Ferraz and L. G. Ferreira", title = "Variational cellular method in molecular and crystal electronic structure calculations", journal = j-IJQC, volume = "16", number = "S13", pages = "395--402", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160840", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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:1979:TID, author = "John Avery", title = "Transferable integrals in a deformation density approach to crystal orbital calculations. {III}", journal = j-IJQC, volume = "16", number = "S13", pages = "403--412", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160841", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Wannier:1979:ESB, author = "Gregory H. Wannier", title = "Energy spectrum for {Bloch} electrons in a magnetic field", journal = j-IJQC, volume = "16", number = "S13", pages = "413--421", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160842", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Brandow:1979:GSE, author = "B. H. Brandow", title = "Ground state and elementary excitations of a model valence-fluctuation system", journal = j-IJQC, volume = "16", number = "S13", pages = "423--444", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160843", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Freeman:1979:ESC, author = "A. J. Freeman and C. S. Wang and T. Jarlborg and M. Weinert and F. Wagner and C. W. Chu", title = "Electronic structure of {CuCl}", journal = j-IJQC, volume = "16", number = "S13", pages = "445--451", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160844", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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:1979:ETP, author = "A. B. Kunz and R. S. Weidman and T. C. Collins", title = "Electronic and transport properties of {CuCl}", journal = j-IJQC, volume = "16", number = "S13", pages = "453--465", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160845", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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:1979:SSP, author = "Bernd T. Matthias", title = "Superconductivity, $p$-state pairing, and magnetism", journal = j-IJQC, volume = "16", number = "S13", pages = "467--469", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160846", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Goddard:1979:GDC, author = "John D. Goddard and Nicholas C. Handy and Henry F. {Schaefer III}", title = "Generalization of the direct configuration interaction method to the {Hartree--Fock} interacting space for doublets, quartets, and open-shell singlets", journal = j-IJQC, volume = "16", number = "S13", pages = "471--471", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160847", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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 = "9 Jul 2009", } @Article{Anonymous:1979:SES, author = "Anonymous", title = "Subsymposium on electron scattering, molecular collisions, and their computational methods", journal = j-IJQC, volume = "16", number = "S13", pages = "473--473", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160848", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Halkjaer:1979:PCN, author = "Ole Halkjaer and Jan Linderberg", title = "Potential Curves and Non-Adiabatic Coupling Matrix Elements for the {O$^+$--Ne} system", journal = j-IJQC, volume = "16", number = "S13", pages = "475--484", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160849", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Ohrn:1979:LOH, author = "Yngve {\"O}hrn and Jan Linderberg", title = "{Linda and Ole Halkjaer}", journal = j-IJQC, volume = "16", number = "S13", pages = "485--485", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160850", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Bowman:1979:SAT, author = "Joel M. Bowman", title = "Sudden approximation theory of vibrational excitation", journal = j-IJQC, volume = "16", number = "S13", pages = "487--500", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160851", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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:1979:AMC, author = "M. R. Flannery", title = "Atomic and molecular collision processes in rare-gas-halide lasers and rare-gas excimer lasers", journal = j-IJQC, volume = "16", number = "S13", pages = "501--529", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160852", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Guberman:1979:PCD, author = "Steven L. Guberman", title = "Potential curves for dissociative recombination of {O$^+_2$}", journal = j-IJQC, volume = "16", number = "S13", pages = "531--540", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160853", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Devries:1979:MCL, author = "Paul L. Devries and Kai-Shue Lam and Thomas F. George", title = "Molecular collisions in a laser field: {Basis} set selection and the rotating-wave approximation", journal = j-IJQC, volume = "16", number = "S13", pages = "541--551", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160854", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Svendsen:1979:CRI, author = "E. N{\o}rby Svendsen", title = "Calculation of {Raman} intensities", journal = j-IJQC, volume = "16", number = "S13", pages = "553--557", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160855", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Redmon:1979:RRT, author = "Michael J. Redmon", title = "Recent results from three-dimensional quantum reactive scattering theory", journal = j-IJQC, volume = "16", number = "S13", pages = "559--568", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160856", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Relyea:1979:MTP, author = "Lawrence R. Relyea and David A. Micha", title = "Multichannel treatment of {Penning} ionization in {He* $(1s 2s, ^3S)$ $+$ Ar} with discretization of the electronic continuum", journal = j-IJQC, volume = "16", number = "S13", pages = "569--577", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160857", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Gianturco:1979:EMS, author = "F. A. Gianturco and U. T. Lamanna and S. Salvini", title = "Electron--molecule scattering at low and intermediate energies: {A} {Glauber}--eikonal approximation for simple targets", journal = j-IJQC, volume = "16", number = "S13", pages = "579--600", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160858", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Truhlar:1979:EPA, author = "Donald G. Truhlar and Kunizo Onda and Robert A. Eades and David A. Dixon", title = "Effective potential approach to electron--molecule scattering theory", journal = j-IJQC, volume = "16", number = "S13", pages = "601--632", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160859", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Henry:1979:LEE, author = "Ronald J. W. Henry", title = "Low-energy-electron--diatomic molecule scattering", journal = j-IJQC, volume = "16", number = "S13", pages = "633--644", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160860", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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:1979:PMO, author = "P. W. Langhoff and A. Gerwer and C. Asaro and B. V. Mckoy", title = "Photoionization in molecular oxygen", journal = j-IJQC, volume = "16", number = "S13", pages = "645--657", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160861", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Wendin:1979:CER, author = "G{\"o}ran Wendin", title = "Collective effects, relaxation, and localization of hole levels in atoms, molecules, solids, and adsorbates", journal = j-IJQC, volume = "16", number = "S13", pages = "659--670", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160862", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Theodorakopoulos:1979:OEB, author = "G. Theodorakopoulos and C. A. Nicolaides and D. R. Beck", title = "One-electron binding and {Auger} energies of sulfur in atomic and molecular states", journal = j-IJQC, volume = "16", number = "S13", pages = "671--681", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160863", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Barfield:1979:PPC, author = "W. D. Barfield", title = "Partial photoionization cross sections and radiative recombination rate coefficients for {Li}-like ions. {II}", journal = j-IJQC, volume = "16", number = "S13", pages = "683--693", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160864", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Englund:1979:SME, author = "John C. Englund and William C. Schieve and Robert F. Gragg", title = "A stochastic master equation description of laserlike systems", journal = j-IJQC, volume = "16", number = "S13", pages = "695--704", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160865", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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{Coldwell:1979:DMC, author = "R. L. Coldwell", title = "A direct {Monte Carlo} evaluation of the derivative of the {Born--Oppenheimer} potential between two ions in liquid sodium", journal = j-IJQC, volume = "16", number = "S13", pages = "705--717", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160866", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib", note = "Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory, Collision Phenomena, and 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:1979:Mn, author = "Anonymous", title = "Masthead", journal = j-IJQC, volume = "16", number = "S13", pages = "fmi--fmi", day = "11--17", month = mar, year = "1979", CODEN = "IJQCB2", DOI = "https://doi.org/10.1002/qua.560160801", ISSN = "0020-7608 (print), 1097-461X (electronic)", ISSN-L = "0020-7608", bibdate = "Tue Oct 11 10:10:29 MDT 2011", bibsource = "http://www.interscience.wiley.com/jpages/0020-7608; https://www.math.utah.edu/pub/tex/bib/ijqc1970.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 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 = "18 Jun 2009", } %%% ==================================================================== %%% Cross-referenced entries, and reviewed books, must come last, and %%% are sorted by year, then by citation label: @Book{Petrasen:1969:AGQ, author = "Marija Ivanovna Petrase{\'n} and Evgenij D. Trifonov and Armin Uhlmann and Adolf K{\"u}hnel", title = "{Anwendung der Gruppentheorie in der Quantenmechanik}. ({German}) [{Application} of group theory in quantum mechanics]", publisher = pub-AKADEMIE-VERLAG, address = pub-AKADEMIE-VERLAG:adr, pages = "x + 240", year = "1969", LCCN = "????", bibdate = "Mon Oct 3 09:46:16 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.gbv.de:20011/gvk", URL = "http://www.gbv.de/dms/ilmenau/toc/021694478.PD", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", language = "German", } @Book{Fukui:1970:OST, author = "Ken'ichi Fukui", title = "Orientation and stereoselection: Theory of orientation and stereoselection", volume = "1", publisher = pub-SV, address = pub-SV:adr, pages = "85", year = "1970", LCCN = "QD1 .F58", bibdate = "Mon Oct 3 11:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Topics in current chemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", remark = "Cover title.. Caption title: Theory of orientation and stereoselection.", subject = "Chemical reaction, Conditions and laws of; Stereochemistry", } @Book{Richards:1971:BIM, editor = "W. G. (William Graham) Richards and T. E. H. Walker and L. Farnell and P. R. Scott", title = "A Bibliography of ab initio molecular wave functions. Supplement for 1970--1973", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "????", year = "1971", LCCN = "Z5524.P6 R52 Suppl", bibdate = "Mon Oct 3 11:28:07 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Oxford science research papers", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", remark = "Updates the base volume published in 1971. Editor: W. G. (William Graham) Richards.", subject = "Molecules; Bibliography; Wave functions", } @Book{Avery:1972:QTA, author = "John Avery", title = "The quantum theory of atoms, molecules and photons", publisher = pub-MCGRAW-HILL, address = pub-MCGRAW-HILL:adr, pages = "xv + 378", year = "1972", ISBN = "0-07-094178-5, 0-07-084013-X (paperback)", ISBN-13 = "978-0-07-094178-6, 978-0-07-084013-3 (paperback)", LCCN = "QD462 .A9", bibdate = "Mon Oct 3 11:22:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "European chemistry series", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Quantum chemistry", } @Book{Atkins:1974:QHC, author = "P. W. Atkins", title = "Quanta: a handbook of concepts", volume = "21", publisher = pub-CLARENDON, address = pub-CLARENDON:adr, pages = "309", year = "1974", ISBN = "0-19-855493-1, 0-19-855494-x", ISBN-13 = "978-0-19-855493-6, 978-0-19-855494-3", LCCN = "2/28", bibdate = "Mon Oct 3 11:43:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.bibsys.no:2100/BIBSYS", series = "Oxford chemistry series", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", } @Book{Turner:1974:MMO, author = "Almon G. Turner", title = "Methods in molecular orbital theory", publisher = pub-PH, address = pub-PH:adr, pages = "xiii + 225", year = "1974", ISBN = "0-13-579383-1", ISBN-13 = "978-0-13-579383-1", LCCN = "QD461 .T85", bibdate = "Mon Oct 3 11:32:15 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Molecular orbitals", } @Book{Fukui:1975:TOS, author = "Ken'ichi Fukui", title = "Theory of orientation and stereoselection", volume = "2", publisher = pub-SV, address = pub-SV:adr, pages = "134", year = "1975", ISBN = "0-387-07426-0", ISBN-13 = "978-0-387-07426-9", LCCN = "QD501 .F92", bibdate = "Mon Oct 3 11:34:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Reactivity and structure", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Chemical reaction, Conditions and laws of; Stereochemistry; Physical organic chemistry", } @Book{Calais:1976:QSM, editor = "Jean-Louis Calais and Osvaldo Goscinski and Jan Linderberg and Yngve {\"O}hrn", title = "Quantum science: methods and structure: a tribute to {Per-Olov L{\"o}wdin}", publisher = pub-PLENUM, address = pub-PLENUM:adr, pages = "ix + 595", year = "1976", ISBN = "0-306-30968-8", ISBN-13 = "978-0-306-30968-7", LCCN = "QC174.125", bibdate = "Mon Oct 3 11:37:14 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.gbv.de:20011/gvk", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "L{\"o}wdin, Per-Olov", subject-dates = "1916--2000", } @Book{Csizmadia:1976:TPM, author = "I. G. Csizmadia", title = "Theory and practice of {MO} calculations on organic molecules", volume = "1", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "378", year = "1976", ISBN = "0-444-41468-1 (American Elsevier)", ISBN-13 = "978-0-444-41468-7 (American Elsevier)", LCCN = "QD476 .C78", bibdate = "Mon Oct 3 11:42:02 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", price = "fl 100.00", series = "Progress in theoretical organic chemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Physical organic chemistry; Molecular orbitals", } @Book{Fraga:1976:HAD, author = "Serafin Fraga and Jacek Karwowski and K. M. S. Saxena", title = "Handbook of atomic data", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "551", year = "1976", ISBN = "0-444-41461-4", ISBN-13 = "978-0-444-41461-8", LCCN = "QC173.397 .F7", bibdate = "Mon Oct 3 11:37:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "atoms; handbooks, manuals, etc; ions; Hartree--Fock approximation", } @Book{Hurley:1976:ECS, author = "Andrew Crowther Hurley", title = "Electron correlation in small molecules", volume = "7", publisher = pub-ACADEMIC, address = pub-ACADEMIC:adr, pages = "viii + 276", year = "1976", ISBN = "0-12-362450-9", ISBN-13 = "978-0-12-362450-5", LCCN = "QD461 .H958", bibdate = "Mon Oct 3 11:40:20 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Theoretical chemistry, a series of monographs", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Molecular theory; Electron configuration", } @Book{Hurley:1976:IET, author = "Andrew Crowther Hurley", title = "Introduction to the electron theory of small molecules", publisher = pub-ACADEMIC, address = pub-ACADEMIC:adr, pages = "x + 329", year = "1976", ISBN = "0-12-362460-6", ISBN-13 = "978-0-12-362460-4", LCCN = "QD461 .H96", bibdate = "Mon Oct 3 11:42:06 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Molecular theory; Electrons", } @Book{Pullman:1976:QMM, editor = "Bernard Pullman", title = "Quantum mechanics of molecular conformations", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "ix + 412", year = "1976", ISBN = "0-471-01489-3", ISBN-13 = "978-0-471-01489-8", LCCN = "QD462.5 .Q36", bibdate = "Mon Oct 3 11:36:05 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Perspectives in quantum chemistry and biochemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", remark = "``A Wiley-Interscience publication.''.", subject = "Quantum chemistry; Molecules", } @Book{Mayer:1977:SM, author = "Joseph Edward Mayer and Maria Goeppert Mayer", title = "Statistical mechanics", publisher = pub-WILEY, address = pub-WILEY:adr, edition = "2d", pages = "xv + 491", year = "1977", ISBN = "0-471-57985-8", ISBN-13 = "978-0-471-57985-4", LCCN = "QC174.8 .M37 1977", bibdate = "Mon Oct 3 11:49:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", author-dates = "Maria Goeppert Mayer (1906--1972)", fjournal = "International Journal of Quantum Chemistry", remark = "A Wiley-Interscience publication.", subject = "Statistical mechanics", } @Book{Rabalais:1977:PUP, author = "J. Wayne Rabalais", title = "Principles of ultraviolet photoelectron spectroscopy", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "xv + 454", year = "1977", ISBN = "0-471-70285-4", ISBN-13 = "978-0-471-70285-6", LCCN = "QC454.P48 R3", bibdate = "Mon Oct 3 11:43:52 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Wiley-Interscience monographs in chemical physics", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", remark = "``A Wiley-Interscience publication.''..", subject = "Photoelectron spectroscopy; Ultraviolet spectrometry", } @Book{Richards:1977:QP, author = "W. G. (William Graham) Richards", title = "Quantum pharmacology", publisher = pub-BUTTERWORTHS, address = pub-BUTTERWORTHS:adr, pages = "xiii + 213", year = "1977", ISBN = "0-408-70919-7", ISBN-13 = "978-0-408-70919-4", LCCN = "RM301.7 .R5", bibdate = "Mon Oct 3 11:47:12 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Quantum pharmacology", } @Book{Julg:1978:CGM, author = "Andr{\'e} Julg", title = "Crystals as giant molecules", volume = "9", publisher = pub-SV, address = pub-SV:adr, pages = "vii + 135", year = "1978", ISBN = "0-387-08946-2", ISBN-13 = "978-0-387-08946-1", LCCN = "QD921 .J8", bibdate = "Wed Oct 5 10:01:45 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Lecture notes in chemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Crystals; Molecules; Molecular crystals", } @Book{Pullman:1978:IID, editor = "Bernard Pullman", title = "Intermolecular interactions, from diatomics to biopolymers", publisher = pub-WILEY, address = pub-WILEY:adr, pages = "ix + 447", year = "1978", ISBN = "0-471-99507-X", ISBN-13 = "978-0-471-99507-4", LCCN = "QD462.5 .I57", bibdate = "Mon Oct 3 11:48:18 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Perspectives in quantum chemistry and biochemistry; v. 2", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", remark = "``A Wiley-Interscience publication.''.", subject = "Quantum chemistry; Biopolymers", } @Book{Atkins:1991:QHC, author = "P. W. Atkins", title = "Quanta: a handbook of concepts", publisher = pub-OXFORD, address = pub-OXFORD:adr, edition = "Second", pages = "434", year = "1991", ISBN = "0-19-855572-5, 0-19-855573-3", ISBN-13 = "978-0-19-855572-8, 978-0-19-855573-5", LCCN = "????", bibdate = "Mon Oct 3 11:43:23 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.bibsys.no:2100/BIBSYS", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Quantum theory; Quantum chemistry; Chemistry", } @Proceedings{Bergmann:1970:QAH, editor = "Ernst David Bergmann and Bernard Pullman", booktitle = "{Quantum aspects of heterocyclic compounds in chemistry and biochemistry: proceedings of an international symposium held in Jerusalem, 31 March--4 April 1969}", title = "{Quantum aspects of heterocyclic compounds in chemistry and biochemistry: proceedings of an international symposium held in Jerusalem, 31 March--4 April 1969}", volume = "2", publisher = "Israel Academy of Sciences and Humanities; [distributors: Academic Press, New York]", address = "Jerusalem, Israel", pages = "438", year = "1970", ISBN = "0-12-567050-8", ISBN-13 = "978-0-12-567050-0", LCCN = "QD462 .Q34", bibdate = "Mon Oct 3 11:27:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "The Jerusalem symposia on quantum chemistry and biochemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Quantum chemistry; Congresses; Heterocyclic compounds", } @Proceedings{Bergmann:1971:APA, editor = "Ernst David Bergmann and Bernard Pullman", booktitle = "{``Aromaticity, pseudo-aromaticity, anti-aromaticity'': proceedings of an international symposium held in Jerusalem, 31 March--3 April, 1970}", title = "{``Aromaticity, pseudo-aromaticity, anti-aromaticity'': proceedings of an international symposium held in Jerusalem, 31 March--3 April, 1970}", volume = "3", publisher = "Israel Academy of Sciences and Humanities; [distributors: Academic Press, New York]", address = "Jerusalem", pages = "398", year = "1971", ISBN = "0-12-091040-3", ISBN-13 = "978-0-12-091040-3", LCCN = "QD331 .A75", bibdate = "Mon Oct 3 11:27:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "The Jerusalem symposia on quantum chemistry and biochemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Aromaticity (Chemistry); Congresses", } @Proceedings{Bergmann:1972:PTE, editor = "Ernst David Bergmann and Bernard Pullman", booktitle = "{The Purines: theory and experiment; proceedings of an international symposium held in Jerusalem, 4--8 April 1971}", title = "{The Purines: theory and experiment; proceedings of an international symposium held in Jerusalem, 4--8 April 1971}", volume = "4", publisher = "Israel Academy of Sciences and Humanities; [distributed by Academic Press, New York]", address = "Jerusalem", pages = "614", year = "1972", LCCN = "QD401 .P979", bibdate = "Mon Oct 3 11:27:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "The Jerusalem symposia on quantum chemistry and biochemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Purines; Congresses", } @Proceedings{Bergmann:1973:CBM, editor = "Ernst David Bergmann and Bernard Pullman", booktitle = "{Conformation of biological molecules and polymers; proceedings of an international symposium held in Jerusalem, 3--9 April 1972}", title = "{Conformation of biological molecules and polymers; proceedings of an international symposium held in Jerusalem, 3--9 April 1972}", volume = "5", publisher = "Israel Academy of Sciences and Humanities; [distributed by Academic Press, New York]", address = "Jerusalem", pages = "831", year = "1973", ISBN = "0-12-091065-9", ISBN-13 = "978-0-12-091065-6", LCCN = "QP501 .C66", bibdate = "Mon Oct 3 11:27:46 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "The Jerusalem symposia on quantum chemistry and biochemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", subject = "Biomolecules; Congresses; Conformational analysis", } @Proceedings{Marois:1973:TPB, editor = "M. (Maurice) Marois", booktitle = "{From theoretical physics to biology, proceedings, Versailles, June 21--26, 1971}", title = "{From theoretical physics to biology, proceedings, Versailles, June 21--26, 1971}", publisher = "S. Karger", address = "Basel, Switzerland", pages = "xv + 467", year = "1973", ISBN = "3-8055-1578-2", ISBN-13 = "978-3-8055-1578-8", LCCN = "QH505 .I59 1971", bibdate = "Mon Oct 3 11:31:51 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", editor-dates = "1922--2004", fjournal = "International Journal of Quantum Chemistry", meetingname = "International Conference on Theoretical Physics and Biology (3rd: 1971: Versailles, France)", subject = "Biophysics; Congresses", } @Proceedings{Csizmadia:1977:AMT, editor = "I. G. Csizmadia", booktitle = "{Applications of MO theory in organic chemistry: [proceedings]}", title = "{Applications of MO theory in organic chemistry: [proceedings]}", volume = "2", publisher = pub-ELSEVIER, address = pub-ELSEVIER:adr, pages = "xiv + 626", year = "1977", ISBN = "0-444-41565-3", ISBN-13 = "978-0-444-41565-3", LCCN = "QD461 .T43 1976", bibdate = "Mon Oct 3 11:45:16 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "Progress in theoretical organic chemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", meetingname = "Theoretical Organic Chemistry Symposium, 1st, Santa Cruz de Tenerife, 1976.", subject = "Molecular orbitals; Congresses; Physical organic chemistry", } @Proceedings{Pullman:1978:NMR, editor = "Bernard Pullman", booktitle = "{Nuclear magnetic resonance spectroscopy in molecular biology: proceedings of the Eleventh Jerusalem Symposium on Quantum Chemistry and Biochemistry, held in Jerusalem, Israel, April 3--7, 1978}", title = "{Nuclear magnetic resonance spectroscopy in molecular biology: proceedings of the Eleventh Jerusalem Symposium on Quantum Chemistry and Biochemistry, held in Jerusalem, Israel, April 3--7, 1978}", volume = "11", publisher = pub-REIDEL, address = pub-REIDEL:adr, pages = "ix + 537", year = "1978", ISBN = "90-277-0932-7", ISBN-13 = "978-90-277-0932-5", LCCN = "QH324.9.N8 J47 1978", bibdate = "Mon Oct 3 11:50:09 MDT 2011", bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1970.bib; z3950.loc.gov:7090/Voyager", series = "The Jerusalem symposia on quantum chemistry and biochemistry", acknowledgement = ack-nhfb, ajournal = "Int. J. Quantum Chem.", fjournal = "International Journal of Quantum Chemistry", meetingname = "Jerusalem Symposium on Quantum Chemistry and Biochemistry, 11th, 1978.", subject = "Nuclear magnetic resonance spectroscopy; Congresses; Molecular biology; Technique", }