@Preamble{"\input ijqc.sty" #
"\ifx \undefined \booktitle \def \booktitle#1{{{\em #1}}} \fi" #
"\ifx \undefined \ocirc \def \ocirc #1{{\accent'27#1}}\fi" #
"\ifx \undefined \sech \def \sech{{\rm sech}} \fi"
}
@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/|"}
@String{j-IJQC = "International Journal of Quantum Chemistry"}
@String{j-J-MATH-PHYS = "Journal of Mathematical Physics"}
@String{pub-WILEY = "John Wiley"}
@String{pub-WILEY:adr = "New York, NY, USA"}
@Article{Romera:1997:ASD,
author = "E. Romera and J. S. Dehesa and Toshikatsu Koga",
title = "Analytical {Schwartz} Density Applied to Heavy
Two-Electron Ions",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "525--531",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Apr 12 07:11:06 2002",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc1990.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Romera:2002:EAS}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42422;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42422&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
journalabr = "Int J Quant Chem",
}
@Article{Frolov:1997:EFS,
author = "Alexei M. Frolov and Vedene H. {Smith, Jr.}",
title = "Exact Finite Series for the Few-Body Auxiliary
Functions",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "269--278",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/(SICI)1097-461X(1997)63:1<269::AID-QUA28>3.0.CO;2-5",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 4 06:59:08 MDT 2011",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc1990.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Frolov:2009:EEF}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42572;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42572&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
journalabr = "Int J Quant Chem",
onlinedate = "6 Dec 1998",
}
@Article{Soscun:2000:IST,
author = "Humberto Soscun and Javier Hern{\'a}ndez and Olga
Castellano",
title = "Ab initio study of the topology of the charge
distribution of {H$_3$SiO(H)AlH$_3$} conformers",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "1--9",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503201/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503201/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503201&PLACEBO=IE.pdf",
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{Shalabi:2000:CVW,
author = "A. S. Shalabi and E. M. Nour and W. S. Abdel Halim",
title = "Characterization of {van der Waals} interaction
potentials $ {D}_{4h} $ and $ {T}_d $ configurations of
{He$_4$}",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "10--22",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503192/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503192/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503192&PLACEBO=IE.pdf",
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{Feng:2000:TSS,
author = "Jikang Feng and Aimin Ren and Weiquan Tian and Maofa
Ge and Zhiru Li and Chiachung Sun and Xuehe Zheng and
Michael C. Zerner",
title = "Theoretical studies on the structure and electronic
spectra of some isomeric fullerene derivatives
{C$_{60}$ O$_n$} $ (n = 2, 3)$",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "23--43",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503193/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503193/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503193&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Chong:2000:DFC,
author = "Delano P. Chong and Germ{\'a}n Cavigliasso",
title = "Density functional calculation of core-electron
binding energies of isomers of {C$_3$ H$_6$ O$_2$} and
{C$_3$ H$_5$ NO}",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "44--50",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503194/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503194/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503194&PLACEBO=IE.pdf",
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{Zheng:2000:TPL,
author = "Neng-Wu Zheng and Yu-Jie Sun and Tao Wang and Dong-Xia
Ma and Yi Zhang and Wei Su",
title = "Transition probability of lithium atom and lithiumlike
ions with weakest bound electron wave functions and
coupled equations",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "51--61",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503195/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503195/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503195&PLACEBO=IE.pdf",
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{Pye:2000:IIL,
author = "Cory C. Pye",
title = "An ab initio investigation of lithium ion hydration.
{II}. {Tetra}- versus hexacoordination and halide
complexes",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "62--76",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503196/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503196/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503196&PLACEBO=IE.pdf",
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{Wang:2000:PLM,
author = "Xuefeng Wang and Qi-Zong Qin",
title = "Peroxide linkage {N$_2$ O$_4$} molecule: {Prediction}
of new {ONOONO} isomers",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "77--82",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503197/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503197/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503197&PLACEBO=IE.pdf",
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{Flocke:2000:IAH,
author = "N. Flocke and T. G. Schmalz",
title = "{IPM} approach to {Hubbard} model. {Applications} and
limitations of restricted {CI} calculations to ground
states of some$ \pi $ networks containing fused $5$-
and $6$-membered rings",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "83--98",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503198/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503198/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503198&PLACEBO=IE.pdf",
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{Das:2000:RAC,
author = "A. K. Das and T. K. Ghosh and D. Ray and T. K.
Mukherjee and P. K. Mukherjee",
title = "Radial and angular correlations in doubly excited
states: {A} time-dependent perturbation approach",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "99--104",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503199/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503199/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503199&PLACEBO=IE.pdf",
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{Diez:2000:DFS,
author = "Reinaldo Pis Diez",
title = "Density functional study of small molybdenum
clusters",
journal = j-IJQC,
volume = "76",
number = "1",
pages = "105--112",
day = "5",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503200/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503200/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503200&PLACEBO=IE.pdf",
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{Anonymous:2000:KR,
author = "Anonymous",
title = "{Klaus R{\"u}denberg}",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "113--113",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503180/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503180/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503180&PLACEBO=IE.pdf",
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{Zerner:2000:IKR,
author = "Michael C. Zerner",
title = "Introduction: {Klaus R{\"u}denberg}",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "115--130",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503165/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503165/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503165&PLACEBO=IE.pdf",
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{Anonymous:2000:LPa,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "131--136",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503166/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503166/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503166&PLACEBO=IE.pdf",
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{Kolczewski:2000:ICM,
author = "Ch. Kolczewski and K. Fink and V. Staemmler",
title = "Ab initio calculation of the magnetic exchange
coupling in linear oxo-bridged heterobinuclear
complexes of titanium {(III)}, vanadium {(III)}, and
chromium {(III)}",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "137--147",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503167/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503167/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503167&PLACEBO=IE.pdf",
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{Koch:2000:RIA,
author = "Wolfhard Koch",
title = "On {R{\"u}denberg}'s integral approximations and their
unrestricted and combined use in molecular orbital
theories of {Hartree--Fock} type",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "148--160",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503168/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503168/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503168&PLACEBO=IE.pdf",
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{Chaudhury:2000:SCR,
author = "Pinaki Chaudhury and S. P. Bhattacharyya",
title = "Stochastic construction of reaction paths: {A} genetic
algorithm-based approach",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "161--168",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503169/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503169/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503169&PLACEBO=IE.pdf",
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{Lee:2000:EPA,
author = "Michael S. Lee and Martin Head-Gordon",
title = "Extracting polarized atomic orbitals from molecular
orbital calculations",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "169--184",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503170/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503170/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503170&PLACEBO=IE.pdf",
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{Sychrovsky:2000:BAA,
author = "Vladim{\'\i}r Sychrovsk{\'y} and Petr {\v{C}}{\'a}rsky
and Hans Lischka",
title = "{B$_k$} approximation applied to the multireference
configuration interaction method",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "185--196",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503171/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503171/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503171&PLACEBO=IE.pdf",
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{Skurski:2000:PBT,
author = "Piotr Skurski and Maciej Gutowski and Jack Simons",
title = "On the possibility of binding of two electrons to
dipole potentials",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "197--204",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503172/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503172/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503172&PLACEBO=IE.pdf",
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{VanMourik:2000:GBS,
author = "Tanja {Van Mourik} and Thom H. {Dunning, Jr.}",
title = "{Gaussian} basis sets for use in correlated molecular
calculations. {VIII}. {Standard} and augmented sextuple
zeta correlation consistent basis sets for aluminum
through argon",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "205--221",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503173/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503173/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503173&PLACEBO=IE.pdf",
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{VonSzentpaly:2000:MCD,
author = "L{\'a}szl{\'o} {Von Szentp{\'a}ly}",
title = "Modeling the charge dependence of total energy and its
relevance to electrophilicity",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "222--234",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503174/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503174/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503174&PLACEBO=IE.pdf",
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{Kryachko:2000:DBM,
author = "Eugene S. Kryachko and David R. Yarkony",
title = "Diabatic bases and molecular properties",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "235--243",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503175/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503175/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503175&PLACEBO=IE.pdf",
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{Steinborn:2000:MCF,
author = "E. O. Steinborn and H. H. H. Homeier and I. Ema and R.
Lopez and G. Ram{\'\i}rez",
title = "Molecular calculations with {$B$} functions",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "244--251",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503176/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503176/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503176&PLACEBO=IE.pdf",
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{Nalewajski:2000:ICD,
author = "Roman F. Nalewajski",
title = "Integral constraint on the density functional for
nonadditive kinetic energy in {Kohn--Sham} theory for
subsystems",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "252--258",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503177/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503177/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503177&PLACEBO=IE.pdf",
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{Sorensen:2000:VSB,
author = "Thomas E. Sorensen and Walter B. England",
title = "Valence States of {BeO}: {Feynman}'s Way",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "259--279",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503178/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503178/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503178&PLACEBO=IE.pdf",
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{Weniger:2000:ATT,
author = "Ernst Joachim Weniger",
title = "Addition theorems as three-dimensional {Taylor}
expansions",
journal = j-IJQC,
volume = "76",
number = "2",
pages = "280--295",
day = "15",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/69503179/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/69503179/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=69503179&PLACEBO=IE.pdf",
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{Sendt:2000:QCS,
author = "Karina Sendt and Timothy W. Schmidt and George B.
Bacskay",
title = "Quantum chemical studies of the potential energy
surfaces and vibrational frequencies of the $ \tilde
{X}({}^1 {A}^\prime) $, $ \tilde {a}({}^3 {A}^{\prime
\prime }) $ and $ \tilde {A}({}^1 {A}^{\prime \prime })
$ states of {CHCl} and {CFCl}",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "297--305",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Jul 04 08:54:41 2008",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000290/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000290/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000290&PLACEBO=IE.pdf",
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{Forsberg:2000:CBM,
author = "Bj{\"o}rn Forsberg and Zhi He and Yuan He and Dieter
Cremer",
title = "Convergence behavior of the {M{\o}ller--Plesset}
perturbation series: {Use} of {Feenberg} scaling for
the exclusion of backdoor intruder states",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "306--330",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000276/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000276/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000276&PLACEBO=IE.pdf",
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{Krauss:2000:ISM,
author = "Morris Krauss",
title = "Ab initio structures of metalloenzyme active sites:
{Application} to metalloglutathione transferase",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "331--340",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000277/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000277/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000277&PLACEBO=IE.pdf",
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{Minikis:2000:TGT,
author = "Ryan M. Minikis and Jan H. Jensen",
title = "Toward a general theory of hydrogen bonding: {A} study
of hydrogen bonds involving {H$_2$ O} and {HF}",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "341--358",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000278/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000278/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000278&PLACEBO=IE.pdf",
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{Dolg:2000:PRD,
author = "M. Dolg and W. Liu and S. Kalvoda",
title = "Performance of relativistic density functional and ab
initio pseudopotential approaches for systems with
high-spin multiplicities: {Gadolinium} diatomics {GdX}
({X} = {H}, {N}, {O}, {F}, {P}, {S}, {Cl}, {Gd})",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "359--370",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000279/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000279/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000279&PLACEBO=IE.pdf",
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{Pernpointner:2000:AEF,
author = "Markus Pernpointner and Peter Schwerdtfeger and Bernd
A. Hess",
title = "Accurate electric field gradients for the coinage
metal chlorides using the {PCNQM} method",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "371--384",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000280/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000280/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000280&PLACEBO=IE.pdf",
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{Fulde:2000:GSW,
author = "Peter Fulde",
title = "Ground-state wave functions and energies of solids",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "385--395",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000281/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000281/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000281&PLACEBO=IE.pdf",
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{Yanai:2000:NAE,
author = "Takeshi Yanai and Kazuhiro Ishida and Haruyuki Nakano
and Kimihiko Hirao",
title = "New algorithm for electron repulsion integrals
oriented to the general contraction scheme",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "396--406",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000282/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000282/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000282&PLACEBO=IE.pdf",
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{Gritsenko:2000:EPS,
author = "O. V. Gritsenko and P. R. T. Schipper and E. J.
Baerends",
title = "Ensuring proper short-range and asymptotic behavior of
the exchange-correlation {Kohn--Sham} potential by
modeling with a statistical average of different
orbital model potentials",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "407--419",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000283/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000283/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000283&PLACEBO=IE.pdf",
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{Scheurer:2000:ELM,
author = "P. Scheurer and W. H. E. Schwarz",
title = "Externally localized molecular orbitals: {A} numerical
investigation of localization degeneracy",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "420--427",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000284/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000284/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000284&PLACEBO=IE.pdf",
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{Scheurer:2000:CDS,
author = "P. Scheurer and W. H. E. Schwarz",
title = "Continuous degeneracy of sets of localized orbitals",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "428--433",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000285/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000285/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000285&PLACEBO=IE.pdf",
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{Schmidt:2000:CF,
author = "Michael W. Schmidt and Mark S. Gordon and Jerry A.
Boatz",
title = "Cubic fuels?",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "434--446",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000286/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000286/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000286&PLACEBO=IE.pdf",
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{Bruna:2000:ESM,
author = "Pablo J. Bruna and Friedrich Grein",
title = "The electron-spin magnetic moments ($g$-factors) of
{C$_2^-$}, {N$_2^-$}, {O$_2^-$}, and {F$_2^-$} and
corresponding {M$^+$ X$_2^-$} radicals ({M} = alkali
metal)",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "447--457",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000287/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000287/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000287&PLACEBO=IE.pdf",
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{Sanz:2000:DVC,
author = "Javier Fdez. Sanz and Carmen J. Calzado and Antonio
M{\'a}rquez",
title = "{DFT} {\em versus\/} {CI} determination of the
electron-transfer matrix element in some case
examples",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "458--463",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000288/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000288/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000288&PLACEBO=IE.pdf",
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{Barnett:2000:SCA,
author = "Michael P. Barnett",
title = "Symbolic calculation of auxiliary functions for
molecular integrals over {Slater} orbitals",
journal = j-IJQC,
volume = "76",
number = "3",
pages = "464--472",
day = "20",
month = jan,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000289/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000289/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000289&PLACEBO=IE.pdf",
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{Andrae:2000:NES,
author = "Dirk Andrae and Markus Reiher and Juergen Hinze",
title = "Numerical electronic structure calculations for atoms.
{II}. {Generalized} variable transformation and
relativistic calculations",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "473--499",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000687/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000687/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000687&PLACEBO=IE.pdf",
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{Zheng:2000:RIM,
author = "Yujun Zheng and Xizhang Yi and Daren Guan",
title = "Rotationally inelastic molecule-surface scattering:
dynamical lie algebraic method",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "500--510",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000681/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000681/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000681&PLACEBO=IE.pdf",
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{Kantorovich:2000:AGF,
author = "L. N. Kantorovich",
title = "Application of the group function theory to infinite
systems",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "511--534",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000682/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000682/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000682&PLACEBO=IE.pdf",
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{Belmiloud:2000:RVE,
author = "D. Belmiloud and M. Jacon",
title = "Rotation-vibration energy levels from recent potential
energy surfaces for the ground electronic states of
{NO$_2$} and {H$_2$ O}",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "535--540",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000685/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000685/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000685&PLACEBO=IE.pdf",
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{Chen:2000:CIH,
author = "Cheng Chen and Shuang-Fuh Shyu",
title = "Conformers and intramolecular hydrogen bonding of the
oxalic acid monomer and its anions",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "541--551",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000686/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000686/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000686&PLACEBO=IE.pdf",
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{Dehareng:2000:ISO,
author = "Dominique Dehareng and Georges Dive and Alec
Moradpour",
title = "Ab initio study of organic mixed valency",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "552--573",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000683/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000683/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000683&PLACEBO=IE.pdf",
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{Tanaka:2000:ICH,
author = "Kazuyoshi Tanaka and Mayumi Okada and Yuanhe Huang and
Takao Yoshii and Akihiro Ito",
title = "An instability condition for the {Hartree--Fock}
solution of the infinite one-dimensional system with
two-crossing bands. {I}. {Singlet}-instability check of
metallic carbon nanotube",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "574--582",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000684/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000684/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000684&PLACEBO=IE.pdf",
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{Anonymous:2000:IAQ,
author = "Anonymous",
title = "The {International Academy of Quantum Molecular
Science} elected the following new members",
journal = j-IJQC,
volume = "76",
number = "4",
pages = "583--583",
day = "5",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000688/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000688/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000688&PLACEBO=IE.pdf",
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{Chen:2000:ASP,
author = "Jin-Quan Chen and Peng-Dong Fan and Josef Paldus",
title = "Algebraic solutions for point groups: {Cubic} groups
{$G$} in the group chain {$ G \supset T \supset D_2
\supset C_2$}",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "585--599",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000589/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000589/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000589&PLACEBO=IE.pdf",
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{Dardenne:2000:MIS,
author = "L. E. Dardenne and N. Makiuchi and L. A. C.
Malbouisson and J. D. M. Vianna",
title = "Multiplicity, instability, and {SCF} convergence
problems in {Hartree--Fock} solutions",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "600--610",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000581/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000581/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000581&PLACEBO=IE.pdf",
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{Gutman:2000:ADS,
author = "Ivan Gutman and Sandi Klav{\v{z}}ar and Amal
Rajapakse",
title = "Average distances in square-cell configurations",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "611--617",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000582/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000582/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000582&PLACEBO=IE.pdf",
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{Yalcin:2000:ESS,
author = "Zeynel Yal{\c{c}}{\i}n and Met{\i}n Akta{\c{s}} and
Mehmet {\c{S}}{\i}m{\c{s}}ek",
title = "Exact solutions of the {Schr{\"o}dinger} equation for
$^{1, 3}$ {\em {S\/}} states of the atom with
{Fues-Kratzer}-type potential",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "618--625",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Nov 01 08:47:31 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000583/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000583/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000583&PLACEBO=IE.pdf",
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{Petrie:2000:DBS,
author = "Simon Petrie",
title = "Do branched structures exist for cyanide-containing
magnesium compounds? {Computational} studies on a range
of mixed-ligand compounds {XMg(CN)} ({X} = {F}, {Cl},
{OH}, {SH}, {NH$_2$}, {CH$_3$}, {CN})",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "626--642",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000584/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000584/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000584&PLACEBO=IE.pdf",
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{Politzer:2000:PSF,
author = "Peter Politzer and Jane S. Murray and Fakher
Abu-Awwad",
title = "Prediction of solvation free energies from computed
properties of solute molecular surfaces",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "643--647",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000585/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000585/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000585&PLACEBO=IE.pdf",
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{Jayakumar:2000:SIS,
author = "N. Jayakumar and P. Kolandaivel",
title = "Studies of isomer stability using the maximum hardness
principle {(MHP)}",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "648--655",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000586/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000586/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000586&PLACEBO=IE.pdf",
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{Wensheng:2000:EFS,
author = "Deng Wensheng and Gou Bingcong and Han Lihong and Li
Qianshu",
title = "Energies, fine structures, and transition rates of the
core-excited states in {BeII}",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "656--661",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000587/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000587/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000587&PLACEBO=IE.pdf",
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{Kolandaivel:2000:SCB,
author = "P. Kolandaivel and N. Suba and K. Senthilkumar",
title = "Study of chemical bonding in {H$_2$} and {HF}
molecules: {Wave} function and density functional
theory {(DFT)} parameters approach",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "662--669",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000588/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000588/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000588&PLACEBO=IE.pdf",
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{Alper:2000:MDS,
author = "Howard E. Alper and Peter Politzer",
title = "Molecular dynamics simulations of the
temperature-dependent behavior of aluminum, copper, and
platinum",
journal = j-IJQC,
volume = "76",
number = "5",
pages = "670--676",
day = "15",
month = feb,
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:28 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70000580/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70000580/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70000580&PLACEBO=IE.pdf",
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{Kurita:2000:DFS,
author = "Noriyuki Kurita and Masahiro Araki and Kenji Nakao and
Kinya Kobayashi",
title = "Density functional study for stacking energy of
cytosine dimer: {Ab} initio {MO} calculations based on
{Slater}-type basis set",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "677--685",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001603/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001603/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001603&PLACEBO=IE.pdf",
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{Xue:2000:DFT,
author = "Ying Xue and Daiqian Xie and Guosen Yan",
title = "Density functional theory studies on molecular
structure and {IR} spectra of $9$-methyladenine: {A}
scaled quantum mechanical force field approach",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "686--699",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001596/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001596/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001596&PLACEBO=IE.pdf",
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{Kushwaha:2000:RHB,
author = "P. S. Kushwaha and P. C. Mishra",
title = "Relationship of hydrogen bonding energy with
electrostatic and polarization energies and molecular
electrostatic potentials for amino acids: {An}
evaluation of the lock and key model",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "700--713",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001597/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001597/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001597&PLACEBO=IE.pdf",
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{Himo:2000:SEO,
author = "Fahmi Himo and Leif A. Eriksson and Margareta R. A.
Blomberg and Per E. M. Siegbahn",
title = "Substituent effects on {OH} bond strength and
hyperfine properties of phenol, as model for modified
tyrosyl radicals in proteins",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "714--723",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001602/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001602/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001602&PLACEBO=IE.pdf",
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{Meyer:2000:ISF,
author = "Michael Meyer",
title = "Ab initio study of flavonoids",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "724--732",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001598/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001598/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001598&PLACEBO=IE.pdf",
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{Vracko:2000:CTE,
author = "Marjan Vra{\v{c}}ko and Marjana Novi{\v{c}} and Marko
Perdih",
title = "Chemometrical treatment of electronic structures of $
28 $ flavonoid derivatives",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "733--743",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001599/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001599/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001599&PLACEBO=IE.pdf",
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{Figueiredo:2000:CCH,
author = "Luciana J. O. Figueiredo and O. A. C. Antunes",
title = "Chemometric classification of {HIV}-$1$ protease
inhibitors",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "744--755",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001600/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001600/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001600&PLACEBO=IE.pdf",
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{Mezey:2000:TSD,
author = "Paul G. Mezey and Kenichi Fukui and Shigeru Arimoto",
title = "Treatment of small deformations of polyhedral shapes
of functional group distributions in biomolecules",
journal = j-IJQC,
volume = "76",
number = "6",
pages = "756--761",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 25 07:44:29 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70001601/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70001601/FTSTART;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70001601&PLACEBO=IE.pdf",
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{Rosch:2000:IMC,
author = "Notker R{\"o}sch and Yngve {\"O}hrn",
title = "Introduction: {Michael C. Zerner}",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "1--2",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/(SICI)1097-461X(2000)77:1<1::AID-QUA2>3.0.CO;2-R",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004261/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004261/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004261&PLACEBO=IE.pdf",
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{Anonymous:2000:BMC,
author = "Anonymous",
title = "Bibliography of {Michael C. Zerner}",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "3--15",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/(SICI)1097-461X(2000)77:1<3::AID-QUA3>3.0.CO;2-I",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004272/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004272/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004272&PLACEBO=IE.pdf",
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{Stuchebrukhov:2000:ICL,
author = "Alexei A. Stuchebrukhov",
title = "Ab initio calculations of long-distance electron
tunneling in organometallic systems of biological
origin",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "16--26",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004283/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004283/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004283&PLACEBO=IE.pdf",
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{vanderVaart:2000:CTB,
author = "Arjan van der Vaart and Kenneth M. {Merz, Jr.}",
title = "Charge transfer in biologically important molecules:
comparison of high-level ab initio and semiempirical
methods",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "27--43",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004293/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004293/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004293&PLACEBO=IE.pdf",
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{Strajbl:2000:ILS,
author = "Marek {\v{S}}trajbl and Jan Flori{\'a}n and Arieh
Warshel",
title = "Ab initio\slash {LD} studies of chemical reactions in
solution: {Reference} free-energy surfaces for
acylation reactions occurring in serine and cysteine
proteases",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "44--53",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004294/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004294/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004294&PLACEBO=IE.pdf",
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{Loew:2000:SSF,
author = "Gilda Loew",
title = "Structure, spectra, and function of heme sites",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "54--70",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004295/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004295/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004295&PLACEBO=IE.pdf",
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{Jug:2000:QSR,
author = "Karl Jug and Heiko Gerwens",
title = "{QCMEE} study of the reductive half-reaction of
glucose oxidase",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "71--81",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004296/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004296/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004296&PLACEBO=IE.pdf",
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{Daniels:2000:GOK,
author = "Andrew D. Daniels and Gustavo E. Scuseria and
{\"O}d{\"o}n Farkas and H. Bernhard Schlegel",
title = "Geometry optimization of {Kringle} 1 of plasminogen
using the {PM3} semiempirical method",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "82--89",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004297/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004297/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004297&PLACEBO=IE.pdf",
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{Lee:2000:HEB,
author = "Jooyoung Lee and Adam Liwo and Daniel R. Ripoll and
Jaroslaw Pillardy and Jeffrey A. Saunders and Kenneth
D. Gibson and Harold A. Scheraga",
title = "Hierarchical energy-based approach to
protein-structure prediction: {Blind}-test evaluation
with {CASP3} targets",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "90--117",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004251/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004251/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004251&PLACEBO=IE.pdf",
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{DelValle:2000:SCF,
author = "Juan Carlos {Del Valle} and Michael Kasha and Javier
Catal{\'a}n",
title = "The singular coincidence of fluorescence spectra of
the anionic and cationic species formed by the
respective deprotonated and protonated pyrido-pyrrolo
bases",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "118--127",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004252/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004252/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004252&PLACEBO=IE.pdf",
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{Rak:2000:ESP,
author = "Janusz Rak and Alexander A. Voityuk and Notker
R{\"o}sch",
title = "Energetics of the splitting of pyrimidine photodimers
induced by electron transfer to {rhodium(III)}
complexes. {A} quantum chemical study",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "128--138",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004253/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004253/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004253&PLACEBO=IE.pdf",
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{Damjanovic:2000:EET,
author = "Ana Damjanovi{\'c} and Thorsten Ritz and Klaus
Schulten",
title = "Excitation energy trapping by the reaction center of
{{\em Rhodobacter Sphaeroides}}",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "139--151",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004254/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004254/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004254&PLACEBO=IE.pdf",
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{Low:2000:BCT,
author = "Arthur A. Low and Michael B. Hall",
title = "Benzene chromium tricarbonyl revisited: {Theoretical}
study of the structure and dynamics of {($
\eta^6$-C$_6$H$_6$)Cr(CO)$_3$}",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "152--160",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004255/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004255/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004255&PLACEBO=IE.pdf",
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{Vedernikova:2000:LAO,
author = "I. Vedernikova and E. Proynov and D. Salahub and A.
Haemers",
title = "Local atomic and orbital reactivity indices from
density functional calculations for hydrogen-bonded
1,2-dihydroxybenzene",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "161--173",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004256/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004256/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004256&PLACEBO=IE.pdf",
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{Sankararamakrishnan:2000:SSA,
author = "R. Sankararamakrishnan and K. Konvicka and E. L.
Mehler and H. Weinstein",
title = "Solvation in simulated annealing and high-temperature
molecular dynamics of proteins: {A} restrained water
droplet model",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "174--186",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004257/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004257/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004257&PLACEBO=IE.pdf",
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{DelBene:2000:BPH,
author = "Janet E. {Del Bene} and John D. Watts",
title = "Base properties of {H$_2$CO} in the excited $^3 n
\rightarrow \pi *$ state",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "187--191",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004258/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004258/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004258&PLACEBO=IE.pdf",
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{Canuto:2000:HBB,
author = "Sylvio Canuto and Kaline Coutinho",
title = "From hydrogen bond to bulk: {Solvation} analysis of
the $n$-$ \pi $ * transition of formaldehyde in water",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "192--198",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004259/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004259/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004259&PLACEBO=IE.pdf",
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{Aida:2000:CAH,
author = "M. Aida and H. Yamataka and M. Dupuis",
title = "Critical assessment of the hybrid {QM\slash
MM-pol-vib} approach: {Small} water clusters using
polarizable flexible water potentials",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "199--210",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004260/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004260/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004260&PLACEBO=IE.pdf",
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{Klimkans:2000:VME,
author = "Agris Klimk{\=a}ns and Sven Larsson",
title = "Vibrational model for electron transfer in the limit
of small activation barriers",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "211--220",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004262/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004262/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004262&PLACEBO=IE.pdf",
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{Jorgensen:2000:PTR,
author = "Solvejg J{\o}rgensen and Kurt V. Mikkelsen",
title = "Proton transfer reactions in solution",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "221--239",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004263/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004263/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004263&PLACEBO=IE.pdf",
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{Shukla:2000:IES,
author = "M. K. Shukla and J. Leszczynski",
title = "Investigations of the excited-state properties of
isocytosine: {An} ab initio approach",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "240--254",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004264/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004264/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004264&PLACEBO=IE.pdf",
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{Newton:2000:MDA,
author = "Marshall D. Newton",
title = "Modeling donor\slash acceptor interactions: {Combined}
roles of theory and computation",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "255--263",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004265/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004265/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004265&PLACEBO=IE.pdf",
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{Li:2000:TRT,
author = "Jiabo Li and Christopher J. Cramer and Donald G.
Truhlar",
title = "Two-response-time model based on {CM2\slash INDO\slash
S2} electrostatic potentials for the dielectric
polarization component of solvatochromic shifts on
vertical excitation energies",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "264--280",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004266/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004266/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004266&PLACEBO=IE.pdf",
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{Li:2000:ESC,
author = "Xiangzhu Li and Josef Paldus",
title = "Effect of spin contamination on the prediction of
barrier heights by coupled-cluster theory: {F $+$ H$_2$
$ \rightarrow $ HF $+$ H} reaction",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "281--290",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004267/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004267/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004267&PLACEBO=IE.pdf",
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{Ghanty:2000:TIE,
author = "Tapan K. Ghanty and Ernest R. Davidson",
title = "Theoretical investigation of electronic structure and
{ESR} hyperfine parameters for the {CuH$^+$} molecule",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "291--300",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004268/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004268/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004268&PLACEBO=IE.pdf",
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{Coutinho-Neto:2000:SBB,
author = "Mauricio Coutinho-Neto and Erik Deumens and Yngve
{\"O}hrn",
title = "Selective bond breaking in {H+HOD} reaction",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "301--304",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004269/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004269/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004269&PLACEBO=IE.pdf",
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{Gauss:2000:ESL,
author = "J{\"u}rgen Gauss and John F. Stanton",
title = "Equilibrium structure of {LiCCH}",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "305--310",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004270/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004270/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004270&PLACEBO=IE.pdf",
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{Gagliardi:2000:DRA,
author = "Laura Gagliardi and Stefano Evangelisti and Anders
Bernhardsson and Roland Lindh and Bj{\"o}rn O. Roos",
title = "Dissociation reaction of {N$_8$} azapentalene to
{4N$_2$}: {A} theoretical study",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "311--315",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004271/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004271/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004271&PLACEBO=IE.pdf",
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{Staroverov:2000:EDR,
author = "Viktor N. Staroverov and Ernest R. Davidson",
title = "Electron distributions in radicals",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "316--323",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004273/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004273/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004273&PLACEBO=IE.pdf",
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{Bruna:2000:CES,
author = "Pablo J. Bruna and Friedrich Grein",
title = "Comparing electron-spin $g$-tensor results of
first-row radicals with those of higher rows",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "324--335",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004274/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004274/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004274&PLACEBO=IE.pdf",
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{Politzer:2000:KSS,
author = "Peter Politzer and Pat Lane",
title = "{Kohn--Sham} studies of oxygen systems",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "336--340",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004275/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004275/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004275&PLACEBO=IE.pdf",
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{Nakatsuji:2000:MMS,
author = "Hiroshi Nakatsuji and Zhen-Ming Hu",
title = "Mechanism of methanol synthesis on {Cu(100)} and
{Zn\slash Cu(100)} surfaces: {Comparative} dipped
adcluster model study",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "341--349",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004276/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004276/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004276&PLACEBO=IE.pdf",
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{Head:2000:VAF,
author = "John D. Head",
title = "A vibrational analysis with {Fermi} resonances for
methoxy adsorption on {Cu(111)} using ab initio cluster
calculations",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "350--357",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004277/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004277/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004277&PLACEBO=IE.pdf",
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{Sabin:2000:MSC,
author = "John R. Sabin and S. B. Trickey and S. Peter Apell and
J. Oddershede",
title = "Molecular shape, capacitance, and chemical hardness",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "358--366",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004278/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004278/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004278&PLACEBO=IE.pdf",
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{Micha:2000:MPM,
author = "David A. Micha and Zhigang Yi",
title = "Molecular photoexcitation in a medium: {Density}
operator approach",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "367--375",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004279/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004279/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004279&PLACEBO=IE.pdf",
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{Ho:2000:SEC,
author = "Minhhuy H{\^o} and Hartmut L. Schmider and Donald F.
Weaver and Vedene H. {Smith, Jr.} and Robin P. Sagar
and Rodolfo O. Esquivel",
title = "{Shannon} entropy of chemical changes: {$ {S_N}_2 $}
displacement reactions",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "376--382",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004280/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004280/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004280&PLACEBO=IE.pdf",
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{Ruhoff:2000:ACF,
author = "Peder Thusgaard Ruhoff and Mark A. Ratner",
title = "Algorithms for computing {Franck--Condon} overlap
integrals",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "383--392",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004281/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004281/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004281&PLACEBO=IE.pdf",
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{Shuford:2000:QCC,
author = "Kevin L. Shuford and Jeffrey L. Krause",
title = "Quantum control of charge carriers in quantum wells",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "393--402",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004282/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004282/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004282&PLACEBO=IE.pdf",
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{Cedillo:2000:AMP,
author = "Andr{\'e}s Cedillo and Pratim K. Chattaraj and Robert
G. Parr",
title = "Atoms-in-molecules partitioning of a molecular
density",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "403--407",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004284/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004284/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004284&PLACEBO=IE.pdf",
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{Seo:2000:GPM,
author = "Dong-Kyun Seo and Garegin Papoian and Roald Hoffmann",
title = "Generalized perturbational molecular orbital {(PMO)}
theory",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "408--420",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004285/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004285/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004285&PLACEBO=IE.pdf",
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{Cundari:2000:PTP,
author = "Thomas R. Cundari and Jun Deng and Wentao Fu",
title = "{PM3}(tm) parameterization using genetic algorithms",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "421--432",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004286/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004286/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004286&PLACEBO=IE.pdf",
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{Ishikawa:2000:RMM,
author = "Yasuyuki Ishikawa and Marius Jonas Vilkas and Konrad
Koc",
title = "Relativistic multireference {M{\o}ller--Plesset}
perturbation theory calculations for siliconlike ions",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "433--445",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004287/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004287/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004287&PLACEBO=IE.pdf",
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{Mahlmann:2000:ZFS,
author = "J{\"u}rgen M{\"a}hlmann and Martin Klessinger",
title = "Zero-field splitting calculations based on
semiempirical {MR-CI} wave functions",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "446--453",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004288/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004288/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004288&PLACEBO=IE.pdf",
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{Broo:2000:TCM,
author = "Anders Broo",
title = "Theoretical characterization of a multifunctional
electrooptical molecular device: {Photochemical}
ring-opening mechanism of indolinospirobenzopyran",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "454--467",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004289/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004289/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004289&PLACEBO=IE.pdf",
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{Monkhorst:2000:WQC,
author = "Hendrik J. Monkhorst",
title = "On the wanderings of a quantum chemist in the world of
fusion power and politics",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "468--472",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004290/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004290/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004290&PLACEBO=IE.pdf",
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{Martin:2000:ANB,
author = "Bodo Martin and Peter Gedeck and Timothy Clark",
title = "Additive {NDDO}-based atomic polarizability model",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "473--497",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004291/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004291/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004291&PLACEBO=IE.pdf",
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{Anonymous:2000:LPb,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "498--507",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004292/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004292/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004292&PLACEBO=IE.pdf",
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{Anonymous:2000:MCZ,
author = "Anonymous",
title = "{Michael C. Zerner}",
journal = j-IJQC,
volume = "77",
number = "1",
pages = "ix--ix",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/(SICI)1097-461X(2000)77:1<IX::AID-QUA1>3.0.CO;2-Z",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:27:58 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004298/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004298/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004298&PLACEBO=IE.pdf",
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{Corella-Madueno:2000:TEA,
author = "A. Corella-Madue{\~n}o and R. A. Rosas and J. L.
Mar{\'\i}n and R. Riera",
title = "Two-electron atomic systems confined within spheroidal
boxes",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "509--515",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002218/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002218/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002218&PLACEBO=IE.pdf",
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{Blaudeau:2000:AOB,
author = "J.-P. Blaudeau and S. R. Brozell and S. Matsika and Z.
Zhang and R. M. Pitzer",
title = "Atomic orbital basis sets for use with effective core
potentials",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "516--520",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002210/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002210/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002210&PLACEBO=IE.pdf",
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:2000:ECE,
author = "R. K. Nesbet",
title = "Exchange and correlation energy in density functional
theory",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "521--525",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002211/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002211/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002211&PLACEBO=IE.pdf",
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{Sjoqvist:2000:DEN,
author = "Erik Sj{\"o}qvist",
title = "Degree of electron-nuclear entanglement in molecular
states",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "526--533",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002212/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002212/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002212&PLACEBO=IE.pdf",
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{Gineityte:2000:GDF,
author = "V. Gineityte",
title = "Generalization of the {Dewar} formula for total
energies of molecules",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "534--543",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002213/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002213/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002213&PLACEBO=IE.pdf",
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{Ujaque:2000:CSD,
author = "Gregori Ujaque and Feliu Maseras and Agust{\'\i}
Lled{\'o}s",
title = "A comparative study of {DFT} and traditional ab initio
methodologies on the {OsO$_4$} molecule",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "544--551",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002214/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002214/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002214&PLACEBO=IE.pdf",
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{Fischer:2000:NSE,
author = "Patrick Fischer",
title = "Numerical solution of eigenvalue problems by means of
a wavelet-based {Lanczos} decomposition",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "552--562",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002215/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002215/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002215&PLACEBO=IE.pdf",
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{Korambath:2000:IMO,
author = "Prakashan P. Korambath and ``Babu'' B. K. Singaraju
and Shashi P. Karna",
title = "Ab initio molecular orbital theory study of {GaAs}
clusters: {The} geometry",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "563--573",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002216/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002216/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002216&PLACEBO=IE.pdf",
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{Mishra:2000:NOS,
author = "Rama K. Mishra and Ying-Ting Lin and Shyi-Long Lee",
title = "Nonlinear optical study of the five {IPR} isomers of
{C$_{78}$} generated by capping {C$_{72}$} through
{C$_6$}",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "574--579",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002217/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002217/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002217&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Panin:2000:ESC,
author = "A. I. Panin and A. V. Tulub",
title = "Electronic structure of cations {X\bond OH$_2^+$ (X =
C, N, O)}",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "580--588",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002208/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002208/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002208&PLACEBO=IE.pdf",
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{Binning:2000:DFC,
author = "R. C. {Binning, Jr.} and Meng-Sheng Liao and Carlos R.
Cabrera and Yasuyuki Ishikawa and Hakim Iddir and
Renxuan Liu and E. S. Smotkin and Antonio J.
{Aldykiewicz, Jr.} and Deborah J. Myers",
title = "Density functional calculations on {CO} attached to
{Pt}$_n$ {Ru}$_{(10 - n)}$ ($ n = 6 {\rm - -}10$)
clusters",
journal = j-IJQC,
volume = "77",
number = "2",
pages = "589--598",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:00 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70002209/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70002209/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70002209&PLACEBO=IE.pdf",
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{Varela:2000:SMP,
author = "M. P. B{\'e}ccar Varela and M. C. Caputo and M. B.
Ferraro and P. Lazzeretti and M. C. Mariani and D.
Rial",
title = "Some mathematical properties of gauge transformations
with respect to the {Coulomb} gauge: {Variational}
analysis of an energy functional",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "599--606",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004063/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004063/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004063&PLACEBO=IE.pdf",
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{Mukhopadhyay:2000:SCA,
author = "Atri Mukhopadhyay",
title = "On the structure of the {Clifford} algebra unitary
group adapted states in the many-electron correlation
problem",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "607--614",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004056/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004056/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004056&PLACEBO=IE.pdf",
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{Cao:2000:AIR,
author = "Xiaoping Cao and Yan Wang",
title = "Analytical irreducible representation bases of the
single and double icosahedral groups and their
applications",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "615--624",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004057/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004057/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004057&PLACEBO=IE.pdf",
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{Deleuze:2000:CMR,
author = "Michael S. Deleuze and Barry T. Pickup and David J.
Wilton",
title = "Calculation of molecular response properties with the
second-order coupled perturbed electron propagator",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "625--640",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004058/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004058/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004058&PLACEBO=IE.pdf",
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{Buck:2000:SRS,
author = "Henk Buck",
title = "Symmetry restrictions as starting point for the
determination of geometric representations and the
dynamics of cyclic$ \pi $ systems",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "641--650",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004059/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004059/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004059&PLACEBO=IE.pdf",
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{Staroverov:2000:CDS,
author = "Viktor N. Staroverov and Ernest R. Davidson",
title = "Charge densities for singlet and triplet electron
pairs",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "651--660",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004060/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004060/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004060&PLACEBO=IE.pdf",
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{Palafox:2000:SFP,
author = "Mauricio Alcolea Palafox",
title = "Scaling factors for the prediction of vibrational
spectra. {I}. {Benzene} molecule",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "661--684",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004061/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004061/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004061&PLACEBO=IE.pdf",
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{Robert:2000:GTA,
author = "David Robert and Ramon Carb{\'o}-Dorca",
title = "General trends in atomic and nuclear quantum
similarity measures",
journal = j-IJQC,
volume = "77",
number = "3",
pages = "685--692",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:01 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70004062/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70004062/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70004062&PLACEBO=IE.pdf",
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{Planelles:2000:RAA,
author = "Josep Planelles and Guillermo Peris and Josef Paldus",
title = "Reciprocal adjustment of approximate coupled cluster
and configuration interaction approaches",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "693--703",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500241/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500241/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500241&PLACEBO=IE.pdf",
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{Matamala-Vasquez:2000:AAA,
author = "Adelio Matamala-V{\'a}squez and Josep Planelles",
title = "Algebraic approach to the asymmetric rigid rotor",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "704--709",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500245/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500245/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500245&PLACEBO=IE.pdf",
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{Ponec:2000:MBO,
author = "Robert Ponec and Alicia Torre and Luis Lain and
Roberto C. Bochicchio",
title = "Multicenter bonding in open-shell systems. {A}
nonlinear population analysis approach",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "710--715",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500246/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500246/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500246&PLACEBO=IE.pdf",
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{Amovilli:2000:FBD,
author = "C. Amovilli and N. H. March and T. G{\'a}l and {\'A}.
Nagy",
title = "Force-balance and differential equation for the
ground-state electron density in atoms and molecules",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "716--720",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500247/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500247/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500247&PLACEBO=IE.pdf",
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{Matamala-Vasquez:2000:CPM,
author = "Adelio Matamala-V{\'a}squez and Jacek Karwowski",
title = "Commutator perturbation method in the study of
vibrational-rotational spectra of diatomic molecules",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "721--726",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500248/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500248/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500248&PLACEBO=IE.pdf",
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{Goller:2000:INC,
author = "Andreas G{\"o}ller and Ulrich-Walter Grummt",
title = "Implementation of an {NDDO\slash CI\slash SOS}
approach for second-order hyperpolarizabilities",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "727--760",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500249/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500249/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500249&PLACEBO=IE.pdf",
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{El-Taher:2000:TSP,
author = "S. El-Taher and Adel A. Mohamed",
title = "Theoretical study on peroxyl radical additions to
methyl-substituted ethenes",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "761--771",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500250/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500250/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500250&PLACEBO=IE.pdf",
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{Chen:2000:TSM,
author = "P. C. Chen and F. M. Chang",
title = "Theoretical study on the molecular structures of
toluene, para-fluorotoluene, para-chlorotoluene, and
4-methylpyridine and their sixfold internal rotational
barriers",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "772--778",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500251/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500251/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500251&PLACEBO=IE.pdf",
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{Marmorino:2000:LBP,
author = "M. G. Marmorino and J. C. Schug and C. A. Beattie",
title = "Lower bound problems and bounds to atomic ionization
energies",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "779--784",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500252/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500252/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500252&PLACEBO=IE.pdf",
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{Rivas-Silva:2000:ICA,
author = "J. F. Rivas-Silva and L. Rodr{\'\i}guez-Merino and M.
Berrondo and A. Flores-Riveros",
title = "Ab initio calculations for absorption and emission
energies of alkali halide crystals doped with
thallium",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "785--790",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500242/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500242/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500242&PLACEBO=IE.pdf",
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{Okuno:2000:ESR,
author = "Yoshishige Okuno",
title = "Extension of solution-reaction-surface description to
examination of nonequilibrium solvation effect for
microsolvated reaction",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "791--796",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500243/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500243/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500243&PLACEBO=IE.pdf",
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{Deumens:2000:BR,
author = "Erik Deumens",
title = "Book review",
journal = j-IJQC,
volume = "77",
number = "4",
pages = "797--797",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/70500244/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/70500244/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=70500244&PLACEBO=IE.pdf",
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{Svane:2000:SIC,
author = "A. Svane and W. M. Temmerman and Z. Szotek and J.
L{\ae}gsgaard and H. Winter",
title = "Self-interaction-corrected local-spin-density
calculations for rare earth materials",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "799--813",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000343/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000343/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000343&PLACEBO=IE.pdf",
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{Kurth:2000:REC,
author = "Stefan Kurth and John P. Perdew",
title = "Role of the exchange-correlation energy: {Nature}'s
glue",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "814--818",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000344/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000344/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000344&PLACEBO=IE.pdf",
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{Ziesche:2000:HCS,
author = "Paul Ziesche and Jianmin Tao and Michael Seidl and
John P. Perdew",
title = "How correlation suppresses density fluctuations in the
uniform electron gas of one, two, or three dimensions",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "819--830",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000345/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000345/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000345&PLACEBO=IE.pdf",
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{Bowler:2000:PMI,
author = "D. R. Bowler and I. J. Bush and M. J. Gillan",
title = "Practical methods for ab initio calculations on
thousands of atoms",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "831--842",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000346/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000346/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000346&PLACEBO=IE.pdf",
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{Springborg:2000:ESP,
author = "Michael Springborg",
title = "Electronic and structural properties of extended-chain
compounds and polymers",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "843--858",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000347/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000347/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000347&PLACEBO=IE.pdf",
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{Starikov:2000:NAO,
author = "E. B. Starikov",
title = "Nucleic acids as objects of material science:
{Importance} of quantum chemical and quantum mechanical
studies",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "859--870",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000348/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000348/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000348&PLACEBO=IE.pdf",
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{Alfe:2000:RDI,
author = "D. Alf{\`e} and G. A. de Wijs and G. Kresse and M. J.
Gillan",
title = "Recent developments in ab initio thermodynamics",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "871--879",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000349/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000349/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000349&PLACEBO=IE.pdf",
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{Christensen:2000:ESM,
author = "N. E. Christensen and D. L. Novikov",
title = "Electronic structure of materials under pressure",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "880--894",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000350/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000350/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000350&PLACEBO=IE.pdf",
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{Milman:2000:ESP,
author = "V. Milman and B. Winkler and J. A. White and C. J.
Pickard and M. C. Payne and E. V. Akhmatskaya and R. H.
Nobes",
title = "Electronic structure, properties, and phase stability
of inorganic crystals: {A} pseudopotential plane-wave
study",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "895--910",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000341/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000341/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000341&PLACEBO=IE.pdf",
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{Matar:2000:LSD,
author = "S. F. Matar",
title = "Local spin density functional investigations of the
chemical bonding and of the magnetism in some uranium
ternary intermetallic systems: {How} physics and
chemistry can meet in the solid state",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "911--926",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000342/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000342/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000342&PLACEBO=IE.pdf",
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{Defranceschi:2000:I,
author = "M. Defranceschi",
title = "Introduction",
journal = j-IJQC,
volume = "77",
number = "5",
pages = "v--v",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:02 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000340/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000340/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000340&PLACEBO=IE.pdf",
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{Willaime:2000:ESC,
author = "F. Willaime and A. Satta and M. Nastar and O. Le
Bacq",
title = "Electronic structure calculations of vacancy
parameters in transition metals: {Impact} on the bcc
self-diffusion anomaly",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "927--939",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000984/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000984/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000984&PLACEBO=IE.pdf",
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{Kleinman:2000:FPC,
author = "Leonard Kleinman and D. M. Bylander",
title = "Full potential calculations of the spiral spin density
wave ground state of $ \gamma $-{Fe}",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "940--950",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000976/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000976/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000976&PLACEBO=IE.pdf",
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{Reining:2000:FPC,
author = "Lucia Reining and Olivia Pulci and Maurizia Palummo
and Giovanni Onida",
title = "First-principles calculations of electronic
excitations in clusters",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "951--960",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000977/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000977/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000977&PLACEBO=IE.pdf",
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{Lopez-Moraza:2000:SSC,
author = "Sara L{\'o}pez-Moraza and Luis Seijo and Zoila
Barandiar{\'a}n",
title = "Structure and spectroscopy of {Cr$^{3+}$} defects in
{KMgF$_3$}, {KZnF$_3$}, and {CsCaF$_3$} crystals. {An}
ab initio model potential embedded cluster study",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "961--972",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000978/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000978/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000978&PLACEBO=IE.pdf",
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{Bassani:2000:OIJ,
author = "F. Bassani and G. C. {La Rocca} and V. M. Agranovich",
title = "Organic-inorganic junctions and microcavities: {New}
effects and applications",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "973--981",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000979/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000979/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000979&PLACEBO=IE.pdf",
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{Gupta:2000:ESH,
author = "M. Gupta",
title = "Electronic structure of hydrogen storage materials",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "982--990",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000980/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000980/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000980&PLACEBO=IE.pdf",
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{Louis-Achille:2000:ESM,
author = "Vanina Louis-Achille and Laurent {De Windt} and
Mireille Defranceschi",
title = "Electronic structure of minerals: {The} apatite group
as a relevant example",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "991--1006",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000981/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000981/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000981&PLACEBO=IE.pdf",
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{Eyert:2000:BNA,
author = "Volker Eyert",
title = "Basic notions and applications of the augmented
spherical wave method",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "1007--1031",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000982/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000982/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000982&PLACEBO=IE.pdf",
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{Pisani:2000:CET,
author = "C. Pisani and R. Dovesi and C. Roetti and M. Caus{\`a}
and R. Orlando and S. Casassa and V. R. Saunders",
title = "{{\sc Crystal}} and {{\sc Embed}}, two computational
tools for the ab initio study of electronic properties
of crystals",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "1032--1048",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000983/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000983/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000983&PLACEBO=IE.pdf",
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{March:2000:ETR,
author = "N. H. March",
title = "Electron theory related to mechanical properties of
condensed phases",
journal = j-IJQC,
volume = "77",
number = "6",
pages = "1049--1059",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71000975/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71000975/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71000975&PLACEBO=IE.pdf",
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{Burrows:2000:BGF,
author = "B. L. Burrows and S. G. Davison",
title = "Binomial {Green} functions",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "1--4",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001661/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001661/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001661&PLACEBO=IE.pdf",
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{Colpa:2000:SFP,
author = "J. P. Colpa and F. P. Temme",
title = "{Schur} functions over polyhedral lattice-point
models: {Contrasts} in determinacy criteria for $
((\lambda_1 \lambda_2) \vdash n) $ vs. $ ((\lambda_1
\lambda_2, \cdots, \lambda_{m \leq (n / 2)}) \vdash n)
$ partite {SU($m$)} $ \times $ {\cal {S}}$_n$ group
embeddings: {SU($m$)} $ \times $ {\cal {S}}$_8$ $
\downarrow $ {\cal {D}}$_4$ spin symmetry of
{[H$^{11}$B]}",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "5--14",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001653/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001653/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001653&PLACEBO=IE.pdf",
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{Pinheiro:2000:IGC,
author = "J. C. Pinheiro and F. E. Jorge and E. V. R. de
Castro",
title = "An improved generator coordinate {Hartree--Fock}
method applied to the choice of contracted {Gaussian}
basis sets for first-row diatomic molecules",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "15--23",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001654/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001654/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001654&PLACEBO=IE.pdf",
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{Penotti:2000:ISF,
author = "Fabio E. Penotti",
title = "On the identification of symmetry-forbidden spin
subspaces for configurations employing nonorthogonal
orbitals",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "24--31",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001655/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001655/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001655&PLACEBO=IE.pdf",
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{Zhang:2000:TSS,
author = "Dongju Zhang and Bingyou Zhuang and Dacheng Feng and
Chengbu Liu",
title = "Theoretical study of self-exchange electron-transfer
reactions for the {M(H$_2$O) (M = V, Cr, Mn, and Fe)}
systems",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "32--41",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001656/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001656/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001656&PLACEBO=IE.pdf",
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{Rocha:2000:IRP,
author = "Willian R. Rocha and Wagner B. {De Almeida}",
title = "Insertion reaction of propene into {Rh\bond{}H} bond
in {HRh(CO)(PH$_3$)$_2$ (C$_3$ H$_6$)} compound: {A}
density functional study",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "42--51",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001657/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001657/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001657&PLACEBO=IE.pdf",
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{Abu-Eittah:2000:ETS,
author = "Rafie H. Abu-Eittah and Yahya M. Ibrahim",
title = "Experimental and theoretical study of the electronic
absorption spectra of some 1,2-benzoquinone diazides:
{Closed}-open tautomerism",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "52--62",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001658/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001658/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001658&PLACEBO=IE.pdf",
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{Sutcliffe:2000:BR,
author = "Brian T. Sutcliffe",
title = "Book review",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "63--64",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001659/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001659/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001659&PLACEBO=IE.pdf",
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{Sullivan:2000:BRa,
author = "Neil S. Sullivan",
title = "Book review",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "65--66",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001660/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001660/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001660&PLACEBO=IE.pdf",
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{Sullivan:2000:BRb,
author = "Neil S. Sullivan",
title = "Book review",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "67--68",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001651/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001651/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001651&PLACEBO=IE.pdf",
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{Anonymous:2000:E,
author = "Anonymous",
title = "Erratum",
journal = j-IJQC,
volume = "78",
number = "1",
pages = "69--69",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:03 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71001652/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71001652/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71001652&PLACEBO=IE.pdf",
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{Temme:2000:CCE,
author = "F. P. Temme",
title = "{Cayleyan} {\cal {S}}$_n$-encoded {SU(2)}$ \times
${\cal {S}}$_n$ $ \downarrow {\cal {G}}$ embeddings:
{Nuclear} spin permutation symmetries via polyhedral
lattice-point models, for modulo-$i$ {$ \chi ({\cal
{C}}_i({\cal {S}}_n \downarrow {\cal G}))$}
combinatorial invariance sets",
journal = j-IJQC,
volume = "78",
number = "2",
pages = "71--82",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:05 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71005520/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71005520/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71005520&PLACEBO=IE.pdf",
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{Rico:2000:MFT,
author = "J. Fern{\'a}ndez Rico and J. J. Fern{\'a}ndez and I.
Ema and R. L{\'o}pez and G. Ram{\'\i}rez",
title = "Master formulas for two- and three-center one-electron
integrals involving {Cartesian GTO}, {STO}, and {BTO}",
journal = j-IJQC,
volume = "78",
number = "2",
pages = "83--93",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:05 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71005515/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71005515/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71005515&PLACEBO=IE.pdf",
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{Li:2000:TSI,
author = "Jinshan Li and Heming Xiao and Haishan Dong",
title = "Theoretical study on intermolecular interaction of
epoxyethane dimer",
journal = j-IJQC,
volume = "78",
number = "2",
pages = "94--98",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:05 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71005516/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71005516/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71005516&PLACEBO=IE.pdf",
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{Mora:2000:ESC,
author = "M. A. Mora and Laura Galicia and Humberto
V{\'a}zquez",
title = "Electronic structure and conformation of aniline and
meta-chloroaniline dimers",
journal = j-IJQC,
volume = "78",
number = "2",
pages = "99--111",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:05 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71005517/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71005517/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71005517&PLACEBO=IE.pdf",
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{Ye:2000:ESL,
author = "Yuan-Jie Ye and Yan Jiang",
title = "Electronic structures and long-range electron transfer
through {DNA} molecules",
journal = j-IJQC,
volume = "78",
number = "2",
pages = "112--130",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:05 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71005518/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71005518/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71005518&PLACEBO=IE.pdf",
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{Reis:2000:DCS,
author = "H. Reis and M. G. Papadopoulos and I. Boustani",
title = "{DFT} calculations of static dipole polarizabilities
and hyperpolarizabilities for the boron clusters
{B$_n$} ($ n = 3 {\rm - -}8, 10$)",
journal = j-IJQC,
volume = "78",
number = "2",
pages = "131--135",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:05 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71005519/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71005519/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71005519&PLACEBO=IE.pdf",
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{Rico:2000:MIG,
author = "J. Fern{\'a}ndez Rico and J. J. Fern{\'a}ndez and R.
L{\'o}pez and G. Ram{\'\i}rez",
title = "Molecular integrals for {Gaussian} and
exponential-type functions: {Shift} operators",
journal = j-IJQC,
volume = "78",
number = "3",
pages = "137--145",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71007682/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71007682/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71007682&PLACEBO=IE.pdf",
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{Guseinov:2000:CAM,
author = "I. I. Guseinov and B. A. Mamedov",
title = "On the calculation of arbitrary multielectron
molecular integrals over {Slater}-type orbitals using
recurrence relations for overlap integrals {I}.
{Single}-center expansion method",
journal = j-IJQC,
volume = "78",
number = "3",
pages = "146--152",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71007683/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71007683/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71007683&PLACEBO=IE.pdf",
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{Li:2000:PCC,
author = "Shuhua Li and Jing Ma and Yuansheng Jiang",
title = "Pair-correlated configuration interaction method and
its approximate version for solving the electron
correlation problem in molecules",
journal = j-IJQC,
volume = "78",
number = "3",
pages = "153--167",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71007684/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71007684/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71007684&PLACEBO=IE.pdf",
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{Nalewajski:2000:CSE,
author = "Roman F. Nalewajski",
title = "Charge sensitivities of the externally interacting
open reactants",
journal = j-IJQC,
volume = "78",
number = "3",
pages = "168--178",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71007685/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71007685/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71007685&PLACEBO=IE.pdf",
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{Buck:2000:OMC,
author = "Henk Buck",
title = "Odd-membered {C}$_2 v$ $ \pi $-cyclic mono- and
dications with internal cross-linking. {A H{\"u}ckel}
approach for the description of antiaromaticity",
journal = j-IJQC,
volume = "78",
number = "3",
pages = "179--185",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71007686/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71007686/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71007686&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Zhou:2000:SDF,
author = "Zhengyu Zhou and Aiping Fu and Dongmei Du",
title = "Studies on density functional theory for the
electron-transfer reaction mechanism between
{M-C$_6$H$_6$} and {M$^+$-C$_6$H$_6$} complexes in the
gas phase",
journal = j-IJQC,
volume = "78",
number = "3",
pages = "186--194",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71007687/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71007687/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71007687&PLACEBO=IE.pdf",
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{Braunheim:2000:QNN,
author = "Benjamin B. Braunheim and Carey K. Bagdassarian and
Vern L. Schramm and Steven D. Schwartz",
title = "Quantum neural networks can predict binding free
energies for enzymatic inhibitors",
journal = j-IJQC,
volume = "78",
number = "3",
pages = "195--204",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/71007688/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/71007688/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=71007688&PLACEBO=IE.pdf",
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{Ohrn:2000:MCZ,
author = "Yngve {\"O}hrn and John R. Sabin",
title = "{Michael Charles Zerner}",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "205--205",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000082/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000082/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000082&PLACEBO=IE.pdf",
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{Negadi:2000:PPT,
author = "Tidjani N{\'e}gadi",
title = "On the planar periodic table",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "206--211",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/bibnet/authors/h/harris-frank-e.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000074/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000074/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000074&PLACEBO=IE.pdf",
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{Obermayr:2000:MPL,
author = "Werner Obermayr",
title = "Method for performing {LCAO} band structure
calculations in crystalline solids: {Application} to
rubidium",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "212--225",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000075/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000075/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000075&PLACEBO=IE.pdf",
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{Dykstra:2000:ESO,
author = "Clifford E. Dykstra and Ernest R. Davidson",
title = "Enhanced second-order treatment of electron pair
correlation",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "226--236",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000076/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000076/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000076&PLACEBO=IE.pdf",
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{Wu:2000:EMM,
author = "Yue Wu and Hong Gang Zhao and Xiaoping Liu and Jiping
Li and Kaihai Yang and Hong Bin He",
title = "Evaluation of molecular moments by three methods",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "237--244",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000077/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000077/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000077&PLACEBO=IE.pdf",
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{Li:2000:QCSa,
author = "Ming Li and Rugang Xie and Changwei Hu and Xin Wang
and Anmin Tian",
title = "Quantum chemical study on enantioselective reduction
of aromatic ketones catalyzed by chiral cyclic
sulfur-containing oxazaborolidines. {Part} 1.
{Structures} and properties of catalysts",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "245--251",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000078/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000078/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000078&PLACEBO=IE.pdf",
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{Li:2000:QCSb,
author = "Ming Li and Rugang Xie and Shuanghe Tian and Anmin
Tian",
title = "Quantum chemical study on enantioselective reduction
of aromatic ketones catalyzed by chiral cyclic
sulfur-containing oxazaborolidines. {Part} 2.
{Structures} of catalyst-borane-ketone adducts",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "252--260",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000079/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000079/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000079&PLACEBO=IE.pdf",
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{Li:2000:QCSc,
author = "Ming Li and Rugang Xie and Xairong Hu and Anmin Tian",
title = "Quantum chemical study on enantioselective reduction
of aromatic ketones catalyzed by chiral cyclic
sulfur-containing oxazaborolidines. {Part} 3.
{Structures} of catalyst-alkoxyborane adducts",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "261--268",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000080/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000080/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000080&PLACEBO=IE.pdf",
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{Lu:2000:PES,
author = "Yuhui Lu and Daiqian Xie and Guosen Yan",
title = "A potential energy surface for the electronic ground
state of {CO$_2$}",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "269--280",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000081/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000081/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000081&PLACEBO=IE.pdf",
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{Zhou:2000:ISI,
author = "Yu-Fang Zhou and Cheng-Bu Liu",
title = "Ab initio study of ice catalyzation of {HOCl} + {HCl}
reaction",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "281--284",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000072/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000072/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000072&PLACEBO=IE.pdf",
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{Jiang:2000:TSO,
author = "Hua Liang Jiang and Xiao Qin Huang and Suo Bao Rong
and Xiao Min Luo and Jian Zhong Chen and Yun Tang and
Kai Xian Chen and You Cheng Zhu and Wen Qiao Jin and
Zhi Qiang Chi and Ru Yun Ji and Yang Cao",
title = "Theoretical studies on opioid receptors and ligands.
{I}. {Molecular} modeling and {QSAR} studies on the
interaction mechanism of fentanyl analogs binding to$
\mu $-opioid receptor",
journal = j-IJQC,
volume = "78",
number = "4",
pages = "285--293",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:06 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72000073/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72000073/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72000073&PLACEBO=IE.pdf",
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{Yang:2000:DLA,
author = "Benhui Yang and Keli Han and Shiliang Ding",
title = "Dynamical {Lie} algebraic approach to energy transfer
of the scattering system {A} + {BC}",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "295--302",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001897/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001897/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001897&PLACEBO=IE.pdf",
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{Kryachko:2000:EEL,
author = "Eugene S. Kryachko",
title = "Explicit expression for the leaky aquifer function",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "303--305",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001890/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001890/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001890&PLACEBO=IE.pdf",
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{Kantorovich:2000:DAM,
author = "L. N. Kantorovich",
title = "Derivation of atomistic models for lattices consisting
of weakly overlapping structural elements",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "306--330",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001891/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001891/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001891&PLACEBO=IE.pdf",
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{Liu:2000:TMW,
author = "Shu-Chung Liu and Li-Da Tong and Yeong-Nan Yeh",
title = "Trees with the minimum {Wiener} number",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "331--340",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001892/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001892/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001892&PLACEBO=IE.pdf",
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{Qian:2000:TDD,
author = "Zhixin Qian and Viraht Sahni",
title = "Time-dependent differential virial theorems",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "341--347",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001893/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001893/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001893&PLACEBO=IE.pdf",
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{Bishop:2000:VEV,
author = "David M. Bishop and Ahmed Bouferguene",
title = "Visualization of electronic and vibrational
polarizabilities and hyperpolarizabilities",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "348--377",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001894/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001894/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001894&PLACEBO=IE.pdf",
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{Penotti:2000:ESL,
author = "Fabio E. Penotti",
title = "On the electronic structure of {Li$_2$ (X$^1$)} and
its changes with internuclear distance",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "378--397",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001895/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001895/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001895&PLACEBO=IE.pdf",
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{Sonawane:2000:CFS,
author = "Kailas Dasharath Sonawane and Uddhavesh Bhaskar
Sonavane and Ravindra Tewari",
title = "Conformational flipping of the {N(6)} substituent in
diprotonated {N$_6$-(N-glycylcarbonyl)adenines}: {The}
role of {N(6)H} in purine-ring-protonated ureido
adenines",
journal = j-IJQC,
volume = "78",
number = "5",
pages = "398--405",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:07 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72001896/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72001896/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72001896&PLACEBO=IE.pdf",
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{Katriel:2000:MPD,
author = "Jacob Katriel",
title = "Many-particle {Dirac} identities for arbitrary
elementary spins",
journal = j-IJQC,
volume = "78",
number = "6",
pages = "407--411",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:08 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72502335/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72502335/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72502335&PLACEBO=IE.pdf",
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{Dyall:2000:REM,
author = "Kenneth G. Dyall",
title = "Relativistic electric and magnetic property operators
for two-component transformed {Hamiltonians}",
journal = j-IJQC,
volume = "78",
number = "6",
pages = "412--421",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:08 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72502336/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72502336/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72502336&PLACEBO=IE.pdf",
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{Ren:2000:TIH,
author = "Aimin Ren and Jikang Feng and Xiuyun Sun and Wei Li
and Weiquan Tian and Chiachung Sun and XueHe Zheng and
Michael C. Zerner",
title = "Theoretical investigation of the heterofullerenes
{C$_{59}$ N} and {C$_{69}$ N} and their dimers",
journal = j-IJQC,
volume = "78",
number = "6",
pages = "422--436",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:08 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72502337/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72502337/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72502337&PLACEBO=IE.pdf",
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{Salam:2000:RII,
author = "A. Salam",
title = "Retarded intermolecular interactions involving
diamagnetic molecules",
journal = j-IJQC,
volume = "78",
number = "6",
pages = "437--442",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:08 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72502338/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72502338/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72502338&PLACEBO=IE.pdf",
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{Zhou:2000:TPS,
author = "Lixin Zhou and Chaoyong Mang and Yongfan Zhang and
Shengchang Xiang and Zunxing Huang",
title = "Theoretical predictions of the structure, gas-phase
acidity, and aromaticity of tetrathiosquaric acid",
journal = j-IJQC,
volume = "78",
number = "6",
pages = "443--449",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:08 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72502339/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72502339/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72502339&PLACEBO=IE.pdf",
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{Ladik:2000:TCO,
author = "Janos J. Ladik",
title = "Theoretical considerations on oncogene activation by
chemical carcinogens and antioncogene inactivation by
ionizing radiations: possibilities of hindrance of the
initiation of cancer in the cell",
journal = j-IJQC,
volume = "78",
number = "6",
pages = "450--458",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:08 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72502340/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72502340/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72502340&PLACEBO=IE.pdf",
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{Han:2000:HSD,
author = "Wen-Ge Han and Marcus Elstner and K. J. Jalkanen and
Thomas Frauenheim and S{\'a}ndor Suhai",
title = "Hybrid {SCC-DFTB}\slash molecular mechanical studies
of {H}-bonded systems and of $
{N}$-acetyl-({L-Ala})$_n$ $ {N}^\prime $-methylamide
helices in water solution",
journal = j-IJQC,
volume = "78",
number = "6",
pages = "459--479",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:08 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72502341/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72502341/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72502341&PLACEBO=IE.pdf",
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{Avery:2000:CIE,
author = "John Avery and Rune Shim",
title = "Core ionization energies of atoms and ions calculated
using the generalized {Sturmian} method",
journal = j-IJQC,
volume = "79",
number = "1",
pages = "1--7",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72504317/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72504317/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72504317&PLACEBO=IE.pdf",
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{Montero:2000:MMH,
author = "Luis A. Montero and Jos{\'e} Molina and J{\"u}rgen
Fabian",
title = "Multiple minima hypersurfaces of water clusters for
calculations of association energy",
journal = j-IJQC,
volume = "79",
number = "1",
pages = "8--16",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72504316/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72504316/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72504316&PLACEBO=IE.pdf",
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{Wu:2000:ISL,
author = "Tao Wu and Xian-Yang Chen and Jian-Bo Peng and
Chang-Sheng Shen and Guan-Zhi Ju and Quan Ju",
title = "Isomers of {SiCl$_3$ Li}",
journal = j-IJQC,
volume = "79",
number = "1",
pages = "17--24",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72504404/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72504404/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72504404&PLACEBO=IE.pdf",
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{Gong:2000:TSC,
author = "Xue Dong Gong and Ya Lin Lu and He Ming Xiao and Kong
Chang Chen and He Tian",
title = "Theoretical studies on the conformations and
properties of phenylazonaphthalenes",
journal = j-IJQC,
volume = "79",
number = "1",
pages = "25--33",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72504319/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72504319/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72504319&PLACEBO=IE.pdf",
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{Quintanar:2000:DFE,
author = "Carlos Quintanar and Marco Garcia and Mayra Martinez
and Miguel Castro and J. L. Boldu and Eduardo Mu{\~n}oz
and Peter R. Taylor",
title = "Density functional embedding approach to the {Mn}
impurities in {NaBr} crystals",
journal = j-IJQC,
volume = "79",
number = "1",
pages = "34--46",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72504318/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72504318/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72504318&PLACEBO=IE.pdf",
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{Wu:2000:ESP,
author = "B. R. Wu and S.-L. Lee",
title = "Effect of spin polarization for hydrogen adsorbed on
{Si(111)(1$ \times $1)} surface: {First}-principles
calculations",
journal = j-IJQC,
volume = "79",
number = "1",
pages = "47--55",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72504315/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72504315/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72504315&PLACEBO=IE.pdf",
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{Olszewski:2000:EDCa,
author = "S. Olszewski and M. Baszczak and T. Kwiatkowski",
title = "Effect of dimensionality of a crystal lattice on the
properties of a localized impurity",
journal = j-IJQC,
volume = "79",
number = "2",
pages = "57--74",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508334/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508334/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508334&PLACEBO=IE.pdf",
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{AriasdeSaavedra:2000:TBD,
author = "F. {Arias de Saavedra} and E. Buend{\'\i}a and F. J.
G{\'a}lvez and A. Sarsa",
title = "Two-body densities and effective potentials",
journal = j-IJQC,
volume = "79",
number = "2",
pages = "75--81",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508331/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508331/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508331&PLACEBO=IE.pdf",
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{Cances:2000:CWO,
author = "Eric Canc{\`e}s and Claude {Le Bris}",
title = "Can we outperform the {DIIS} approach for electronic
structure calculations?",
journal = j-IJQC,
volume = "79",
number = "2",
pages = "82--90",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508329/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508329/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508329&PLACEBO=IE.pdf",
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{Magnasco:2000:NTM,
author = "Valerio Magnasco and Arnaldo Rapallo",
title = "New translation method for {STOs} and its application
to calculation of two-center two-electron integrals",
journal = j-IJQC,
volume = "79",
number = "2",
pages = "91--100",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508335/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508335/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508335&PLACEBO=IE.pdf",
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{Ishikawa:2000:MOAa,
author = "Youichi Ishikawa and Kiyoshi Kishi",
title = "Molecular orbital approach to odor molecules: {Normal}
fatty acids and cyclamenaldehydes",
journal = j-IJQC,
volume = "79",
number = "2",
pages = "101--108",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508333/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508333/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508333&PLACEBO=IE.pdf",
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{Ishikawa:2000:MOAb,
author = "Youichi Ishikawa and Kiyoshi Kishi",
title = "Molecular orbital approach to possible discrimination
of musk odor intensity",
journal = j-IJQC,
volume = "79",
number = "2",
pages = "109--119",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508332/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508332/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508332&PLACEBO=IE.pdf",
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{Herz:2000:BGP,
author = "Thomas Herz and Peter Otto and Timothy Clark",
title = "On the band gap in peptide $ \alpha $-helices",
journal = j-IJQC,
volume = "79",
number = "2",
pages = "120--124",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:09 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508330/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508330/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508330&PLACEBO=IE.pdf",
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{Bohm:2000:QSA,
author = "Michael C. B{\"o}hm and Christoph Saal",
title = "Quantum statistical analysis of superconductivity,
fractional quantum {Hall} effect, and aromaticity",
journal = j-IJQC,
volume = "79",
number = "3",
pages = "125--162",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508371/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508371/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508371&PLACEBO=IE.pdf",
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{Carbo-Dorca:2000:STQ,
author = "Ramon Carb{\'o}-Dorca",
title = "Stochastic transformation of quantum similarity
matrices and their use in quantum {QSAR (QQSAR)}
models",
journal = j-IJQC,
volume = "79",
number = "3",
pages = "163--177",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508370/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508370/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508370&PLACEBO=IE.pdf",
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{Mondal:2000:PDC,
author = "Chandan Kumar Mondal and S. P. Bhattacharyya",
title = "Photodetachment dynamics of closed-shell anions:
{Effects} of perturbation by a strong neighboring
dipole",
journal = j-IJQC,
volume = "79",
number = "3",
pages = "178--189",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508369/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508369/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508369&PLACEBO=IE.pdf",
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{Takayanagi:2000:ICC,
author = "Toshiyuki Takayanagi and Yuzuru Kurosaki and Keiichi
Yokoyama",
title = "Ab initio calculations for the {N($^2$D)} $+$ {CH$_4$}
reaction: {Does} the {N($^2$D)} atom really insert into
{CH} bonds of alkane molecules?",
journal = j-IJQC,
volume = "79",
number = "3",
pages = "190--197",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508373/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508373/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508373&PLACEBO=IE.pdf",
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{Rivas-Silva:2000:TEQ,
author = "J. F. Rivas-Silva and S. Durand-Niconoff and T. M.
Schmidt and M. Berrondo",
title = "Theoretical explanation of the quenching of
luminescence in cerium-doped ytterbium
oxyorthosilicate",
journal = j-IJQC,
volume = "79",
number = "3",
pages = "198--203",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72508372/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72508372/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72508372&PLACEBO=IE.pdf",
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{Qian:2000:PFK,
author = "Zhixin Qian and Viraht Sahni",
title = "Proof of finiteness of {Kohn--Sham} theory electron
interaction potential at the nucleus of atoms",
journal = j-IJQC,
volume = "79",
number = "4",
pages = "205--208",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512062/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512062/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512062&PLACEBO=IE.pdf",
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{Hu:2000:AEP,
author = "Anguang Hu and Markus Staufer and Uwe Birkenheuer and
Valentin Igoshine and Notker R{\"o}sch",
title = "Analytical evaluation of pseudopotential matrix
elements with {Gaussian}-type solid harmonics of
arbitrary angular momentum",
journal = j-IJQC,
volume = "79",
number = "4",
pages = "209--221",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512059/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512059/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512059&PLACEBO=IE.pdf",
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{Iyengar:2000:BEC,
author = "Srinivasan S. Iyengar and Gustavo E. Scuseria and
Andreas Savin",
title = "Bounding the extrapolated correlation energy using
{Pad{\'e}} approximants",
journal = j-IJQC,
volume = "79",
number = "4",
pages = "222--234",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512058/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512058/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512058&PLACEBO=IE.pdf",
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{Znojil:2000:NPM,
author = "Miloslav Znojil",
title = "New perturbation method with the matching of wave
functions",
journal = j-IJQC,
volume = "79",
number = "4",
pages = "235--242",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512063/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512063/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512063&PLACEBO=IE.pdf",
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{Strasburger:2000:WHT,
author = "K. Strasburger",
title = "Why {Hylleraas}-type functions failed to predict the
existence of {PsLi$^+$} and $^{2, 3}$ {PsHe$^+$ ?}",
journal = j-IJQC,
volume = "79",
number = "4",
pages = "243--252",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512061/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512061/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512061&PLACEBO=IE.pdf",
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{Zerner:2000:NOP,
author = "Michael C. Zerner and Walter M. F. Fabian and Renate
Dworczak and Dietmar W. Kieslinger and Gert Kroner and
Hans Junek and Max E. Lippitsch",
title = "Nonlinear optical properties of
dicyanomethylene-derived heteroaromatic dyes:
{Semiempirical} molecular orbital calculations and
experimental investigations",
journal = j-IJQC,
volume = "79",
number = "4",
pages = "253--266",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512060/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512060/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512060&PLACEBO=IE.pdf",
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{Sinha:2000:SFC,
author = "Anjana Sinha",
title = "{SWKB} formalism for confined quantum systems",
journal = j-IJQC,
volume = "79",
number = "5",
pages = "267--273",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512626/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512626/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512626&PLACEBO=IE.pdf",
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{Akpinar:2000:QWP,
author = "Sinan Akpinar and Fahrettin Gogtas and Niyazi Bulut
and Abdulkadir Yildiz",
title = "A quantum wave packet study of {He-H$_2$} inelastic
scattering",
journal = j-IJQC,
volume = "79",
number = "5",
pages = "274--279",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512625/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512625/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512625&PLACEBO=IE.pdf",
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{Bochicchio:2000:SEF,
author = "Roberto C. Bochicchio and Horacio Grinberg",
title = "Self-energy fields solutions to the generalized
reduced {Liouville} equation in the perturbative
approach",
journal = j-IJQC,
volume = "79",
number = "5",
pages = "280--290",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512623/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512623/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512623&PLACEBO=IE.pdf",
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{Tian:2000:TSS,
author = "WeiQuan Tian and AiMin Ren and JiKang Feng and JingFu
Guo and ChiaChung Sun",
title = "Theoretical study on the structures and electronic
spectra of {C$_{120}$O$_n$} ($ n = 1, 2$)",
journal = j-IJQC,
volume = "79",
number = "5",
pages = "291--307",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512628/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512628/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512628&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Datta:2000:HSB,
author = "Sambhu N. Datta and Anirban Misra and R. Vinodhkumar",
title = "High-spin behavior of molecular crystals and extended$
\pi $ systems",
journal = j-IJQC,
volume = "79",
number = "5",
pages = "308--324",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512627/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512627/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512627&PLACEBO=IE.pdf",
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{Enkvist:2000:DFS,
author = "Christer Enkvist and Yingkai Zhang and Weitao Yang",
title = "Density functional study of a weakly hydrogen-bonded
benzene-ammonia complex: {The} importance of the
exchange functional",
journal = j-IJQC,
volume = "79",
number = "5",
pages = "325--329",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:10 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72512624/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72512624/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72512624&PLACEBO=IE.pdf",
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{Daul:2000:FCQ,
author = "S. Daul and I. Ciofini and C. Daul and Steven R.
White",
title = "Full-{CI} quantum chemistry using the density matrix
renormalization group",
journal = j-IJQC,
volume = "79",
number = "6",
pages = "331--342",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:11 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515274/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515274/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515274&PLACEBO=IE.pdf",
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{Liu:2000:NSO,
author = "Xue-Shen Liu and Xiao-Yan Liu and Zhong-Yuan Zhou and
Pei-Zhu Ding and Shou-Fu Pan",
title = "Numerical solution of one-dimensional time-independent
{Schr{\"o}dinger} equation by using symplectic
schemes",
journal = j-IJQC,
volume = "79",
number = "6",
pages = "343--349",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:11 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515272/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515272/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515272&PLACEBO=IE.pdf",
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{Chen:2000:ISA,
author = "Zhao-Xu Chen and Heming Xiao",
title = "Impact sensitivity and activation energy of pyrolysis
for tetrazole compounds",
journal = j-IJQC,
volume = "79",
number = "6",
pages = "350--357",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:11 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515271/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515271/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515271&PLACEBO=IE.pdf",
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{Stashans:2000:HPP,
author = "Arvids Stashans and Henry Pinto",
title = "Hole polarons in pure {BaTiO$_3$} studied by computer
modeling",
journal = j-IJQC,
volume = "79",
number = "6",
pages = "358--366",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:11 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515276/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515276/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515276&PLACEBO=IE.pdf",
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{Mohamed:2000:CRB,
author = "Adel A. Mohamed",
title = "Conformations and rotational barriers of 2,2$ \prime
$-bithiazole and 4,4$ \prime $-dimethyl-2,2$ \prime
$-bithiazole semiemperical, ab initio, and density
functional theory calculations",
journal = j-IJQC,
volume = "79",
number = "6",
pages = "367--377",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:11 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515275/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515275/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515275&PLACEBO=IE.pdf",
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{Anonymous:2000:BR,
author = "Anonymous",
title = "Books received",
journal = j-IJQC,
volume = "79",
number = "6",
pages = "378--378",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:11 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515273/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515273/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515273&PLACEBO=IE.pdf",
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{Ghosh:2000:QCS,
author = "Dulal C. Ghosh and Jibanananda Jana and Raka Biswas",
title = "Quantum chemical study of the umbrella inversion of
the ammonia molecule",
journal = j-IJQC,
volume = "80",
number = "1",
pages = "1--26",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515501/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515501/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515501&PLACEBO=IE.pdf",
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{Chen:2000:TSS,
author = "Cheng Chen",
title = "Theoretical study of synthetic reaction of tetrazole
and tetrazolate anion",
journal = j-IJQC,
volume = "80",
number = "1",
pages = "27--37",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515499/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515499/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515499&PLACEBO=IE.pdf",
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{Zhao:2000:IPS,
author = "Yongfang Zhao and Xiaogong Jing and Mingyu Zhang",
title = "Ab initio pseudopotential study of {M$_2$ As$^-$} and
{M$_2$ Br$^+$ (M = Cu, Ag, Au)}",
journal = j-IJQC,
volume = "80",
number = "1",
pages = "38--43",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515497/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515497/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515497&PLACEBO=IE.pdf",
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{Duan:2000:DMI,
author = "Guilin Duan and Vedene H. {Smith, Jr.} and Donald F.
Weaver",
title = "A data mining and ab initio study of the interaction
between the aromatic and backbone amide groups in
proteins",
journal = j-IJQC,
volume = "80",
number = "1",
pages = "44--60",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515502/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515502/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515502&PLACEBO=IE.pdf",
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{Olszewski:2000:EDCb,
author = "S. Olszewski and M. Baszczak and T. Kwiatkowski",
title = "Effect of dimensionality of a crystal lattice on the
properties of a localized impurity",
journal = j-IJQC,
volume = "80",
number = "1",
pages = "61--78",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/72515500/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/72515500/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72515500&PLACEBO=IE.pdf",
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{Castro:2000:I,
author = "Miguel Castro and Janos Ladik",
title = "Introduction",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "79--79",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001282/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001282/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001282&PLACEBO=IE.pdf",
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{Castro:2000:PDS,
author = "Miguel Castro",
title = "Panel discussion: on {``The status of the theory of
chemical reactions,'' Third CISTCP, Mexico City,
November 8--13, 1999}",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "80--84",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001276/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001276/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001276&PLACEBO=IE.pdf",
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{Anonymous:2000:LPc,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "85--95",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001272/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001272/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001272&PLACEBO=IE.pdf",
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{Rosta:2000:ICB,
author = "E. Rosta and P. R. Surj{\'a}n",
title = "Interaction of chemical bonds. {V}. {Perturbative}
corrections to geminal-type wave functions",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "96--104",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001286/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001286/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001286&PLACEBO=IE.pdf",
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{Mineva:2000:OEA,
author = "Tzonka Mineva and Nino Russo and Marirosa Toscano",
title = "Odd-even alternation of global hardnesses in the
{Na}$_n$ ($ n = 2 {\rm - -}9$) clusters",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "105--109",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001280/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001280/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001280&PLACEBO=IE.pdf",
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{Lefebvre:2000:RTP,
author = "R. Lefebvre",
title = "Resonant tunneling in the presence of two electric
fields: {One} static and the other oscillating",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "110--116",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001277/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001277/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001277&PLACEBO=IE.pdf",
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{Nagaoka:2000:ITC,
author = "Masataka Nagaoka and Takuya Okamoto and Yutaka
Maruyama",
title = "Internal temperature concept for fast-transient
dynamics of chemical species in solution",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "117--124",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001273/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001273/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001273&PLACEBO=IE.pdf",
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{Zaragoza:2000:DSI,
author = "I. P. Zaragoza and J. M. Mart{\'\i}nez-Magad{\'a}n and
R. Santamaria and D. Dixon and M. Castro",
title = "{DFT} study of the interaction of the {HZSM-5} zeolite
with the benzene molecule",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "125--132",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001287/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001287/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001287&PLACEBO=IE.pdf",
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{Yarzhemsky:2000:SGA,
author = "V. G. Yarzhemsky",
title = "Space-group approach to the nodal structure of
superconducting order parameter in ferromagnetic and
antiferromagnetic materials",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "133--140",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001281/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001281/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001281&PLACEBO=IE.pdf",
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{Orgaz:2000:CBF,
author = "Emilio Orgaz and Mich{\`e}le Gupta",
title = "Chemical bonding features of the ternary alkali metal
platinum and palladium hydrides",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "141--152",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001283/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001283/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001283&PLACEBO=IE.pdf",
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{Forner:2000:SCS,
author = "Wolfgang F{\"o}rner",
title = "Spectra of charged solitons and temperature dependence
of the mobility of neutral solitons in {\em
trans\/}-polyacetylene",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "153--183",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001289/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001289/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001289&PLACEBO=IE.pdf",
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{Politzer:2000:DFS,
author = "Peter Politzer and Monica C. Concha and Jane S.
Murray",
title = "Density functional study of dimers of
dimethylnitramine",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "184--192",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001274/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001274/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001274&PLACEBO=IE.pdf",
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{March:2000:BSE,
author = "N. H. March",
title = "Bond stretching and electronic correlation in relation
to mechanical and tribological properties of solids",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "193--200",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001278/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001278/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001278&PLACEBO=IE.pdf",
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{Hong:2000:SRD,
author = "Gongyi Hong and Michael Dolg and Lemin Li",
title = "Scalar-relativistic density functional and ab initio
pseudopotential study of zero-valent $d$ and $f$ metal
bis-$ \eta^6$-benzene sandwich complexes {M(C$_6$
H$_6$)$_2$ (M = Sc, Ti, Y, Zr, La, Lu, Hf, Th, U)}",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "201--209",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001285/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001285/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001285&PLACEBO=IE.pdf",
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{Saalfrank:2000:QDL,
author = "Peter Saalfrank",
title = "Quantum dynamics of laser- and field-induced
desorption of molecules from metal surfaces",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "210--219",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001291/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001291/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001291&PLACEBO=IE.pdf",
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{Tenorio:2000:SRC,
author = "Francisco J. Tenorio and Juvencio Robles",
title = "On the stability and reactivity of {C-Si}
heterofullerenes",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "220--226",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001275/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001275/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001275&PLACEBO=IE.pdf",
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{Geerlings:2000:HPA,
author = "P. Geerlings and F. {De Proft}",
title = "{HSAB} principle: {Applications} of its global and
local forms in organic chemistry",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "227--235",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001279/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001279/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001279&PLACEBO=IE.pdf",
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{Safouhi:2000:NMR,
author = "H. Safouhi and P. E. Hoggan",
title = "New method of rapid and accurate evaluation for
multicenter bielectronic integrals over {B} functions",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "236--248",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001284/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001284/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001284&PLACEBO=IE.pdf",
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{Molina:2000:ESG,
author = "B. Molina and L. E. Sansores",
title = "Electronic structure of {Ge$_3$ N$_4$} possible
structures",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "249--257",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001290/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001290/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001290&PLACEBO=IE.pdf",
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{Mireles:2000:TDA,
author = "N. Mireles and R. Salcedo and L. E. Sansores and A.
Mart{\'\i}nez",
title = "Theoretical description of aromaticity in superphane
cages",
journal = j-IJQC,
volume = "80",
number = "2",
pages = "258--263",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:12 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73001288/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73001288/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73001288&PLACEBO=IE.pdf",
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{Robert:2000:QSQ,
author = "David Robert and Llu{\'\i}s Amat and Ramon
Carb{\'o}-Dorca",
title = "Quantum similarity {QSAR}: {Study} of inhibitors
binding to thrombin, trypsin, and factor {Xa},
including a comparison with {CoMFA} and {CoMSIA}
methods",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "265--282",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501016/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501016/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501016&PLACEBO=IE.pdf",
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{Grant:2000:ART,
author = "Ian P. Grant and Harry M. Quiney",
title = "Application of relativistic theories and quantum
electrodynamics to chemical problems",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "283--297",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501012/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501012/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501012&PLACEBO=IE.pdf",
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{Cruz:2000:TSP,
author = "A. Cruz and V. Bertin and M. Castro",
title = "A theoretical study for the {Pt$_3$}-ethylene molecule
interaction",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "298--306",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501008/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501008/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501008&PLACEBO=IE.pdf",
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{Garcia-Sosa:2000:DFS,
author = "Alfonso T. Garc{\'\i}a-Sosa and Miguel Castro",
title = "Density functional study of {FeO$_2$}, {FeO}, and
{FeO}",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "307--319",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501022/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501022/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501022&PLACEBO=IE.pdf",
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{Kaplan:2000:CZD,
author = "I. G. Kaplan and J. Soullard",
title = "Calculation of {Zn}-doped {Y} ceramics by the
electron-correlated embedded-cluster method",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "320--326",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501017/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501017/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501017&PLACEBO=IE.pdf",
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{Zaider:2000:TSS,
author = "Marco Zaider and Albert Y. C. Fung and Jingdong Li and
J. Ladik",
title = "From track structure to stochastic chemistry and {DNA}
damage: {Microdosimetric} perspective",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "327--340",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501013/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501013/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501013&PLACEBO=IE.pdf",
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{Collins:2000:QDM,
author = "T. C. Collins and D. F. Scofield",
title = "Quantum dynamical manifolds. 4. {High}-temperature
superconductors",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "341--368",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501009/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501009/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501009&PLACEBO=IE.pdf",
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{Scofield:2000:QDM,
author = "D. F. Scofield",
title = "Quantum dynamical manifolds 5. {Hydrogen}
mass-spacetime",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "369--393",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501023/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501023/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501023&PLACEBO=IE.pdf",
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{Micha:2000:DMT,
author = "David A. Micha",
title = "Density matrix theory and computational aspects of
quantum dynamics in active medium",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "394--405",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501018/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501018/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501018&PLACEBO=IE.pdf",
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{Gomez-Balderas:2000:PEC,
author = "R. G{\'o}mez-Balderas and J. M.
Mart{\'\i}nez-Magad{\'a}n and R. Santamaria and C.
Amador",
title = "Promotional effect of {Co} or {Ni} impurity in the
catalytic activity of {MoS$_2$}: {An} electronic
structure study",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "406--415",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501019/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501019/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501019&PLACEBO=IE.pdf",
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{Borstnik:2000:IST,
author = "B. Bor{\v{s}}tnik",
title = "From interactions to structures and thermodynamic
properties",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "416--424",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501024/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501024/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501024&PLACEBO=IE.pdf",
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{Peeters:2000:USM,
author = "Anik Peeters and C. {Van Alsenoy} and M.-L. Zhang and
V. E. {Van Doren}",
title = "On the use of supermolecule model for calculation of
{Young}'s modulus of crystalline polymers",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "425--431",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501010/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501010/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501010&PLACEBO=IE.pdf",
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{Schulz:2000:ACC,
author = "L. P. Schulz",
title = "Algebraic criteria on chemical compound saturation and
unsaturation",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "432--438",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501014/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501014/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501014&PLACEBO=IE.pdf",
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{Denis:2000:DFI,
author = "Pablo A. Denis and Oscar N. Ventura",
title = "Density functional investigation of atmospheric sulfur
chemistry. {I}. {Enthalpy} of formation of {HSO} and
related molecules",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "439--453",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501020/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501020/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501020&PLACEBO=IE.pdf",
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{Xu:2000:GPE,
author = "Z. R. Xu and A. J. C. Varandas",
title = "Geometric phase effect in isotopomers of {X$_3$}
systems: {Use} of a split basis technique for the cone
states of {HD$_2$}",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "454--460",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501025/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501025/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501025&PLACEBO=IE.pdf",
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{Bunge:2000:VIN,
author = "Carlos F. Bunge and Eugenio Ley-Koo and Rocio
J{\'a}uregui",
title = "Variational incorporation of negative-energy orbitals
in relativistic electronic structure calculations",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "461--470",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501011/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501011/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501011&PLACEBO=IE.pdf",
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{Luis:2000:CSZ,
author = "Josep M. Luis and Beno{\^\i}t Champagne and Bernard
Kirtman",
title = "Calculation of static zero-point vibrational averaging
corrections and other vibrational curvature
contributions to polarizabilities and
hyperpolarizabilities using field-induced coordinates",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "471--479",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501015/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501015/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501015&PLACEBO=IE.pdf",
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{Jishi:2000:ESC,
author = "R. A. Jishi and C. T. White and J. W. Mintmire",
title = "Endohedral selenium chains in carbon, boron nitride,
and {BC$_2$ N} nanotubes",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "480--485",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501021/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501021/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501021&PLACEBO=IE.pdf",
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{Zulicke:2000:IDC,
author = "L. Z{\"u}licke and R. Neumann and Ch. Zuhrt and J.
Schretter",
title = "Intramolecular dynamics of cationic {van der Waals}
complexes: {Case} study of {ArHCl$^+$}",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "486--498",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501026/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501026/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501026&PLACEBO=IE.pdf",
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{DeLaMora:2000:TSM,
author = "Pablo {De La Mora} and Gustavo Taviz{\'o}n",
title = "A theoretical study of the magnetic properties of the
infinite-layer superconductor",
journal = j-IJQC,
volume = "80",
number = "3",
pages = "499--506",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:13 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73501027/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73501027/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73501027&PLACEBO=IE.pdf",
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{Ohrn:2000:Ia,
author = "N. Y. {\"O}hrn and J. R. Sabin",
title = "Introduction",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "507--507",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505381/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505381/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505381&PLACEBO=IE.pdf",
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{Anonymous:2000:LPd,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "508--533",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505375/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505375/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505375&PLACEBO=IE.pdf",
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{Petersilka:2000:EET,
author = "M. Petersilka and E. K. U. Gross and Kieron Burke",
title = "Excitation energies from time-dependent density
functional theory using exact and approximate
potentials",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "534--554",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505399/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505399/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505399&PLACEBO=IE.pdf",
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{Qian:2000:APK,
author = "Zhixin Qian and Viraht Sahni",
title = "Analytical properties of the {Kohn--Sham} theory
exchange and correlation energy and potential via
quantal density functional theory",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "555--566",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505410/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505410/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505410&PLACEBO=IE.pdf",
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{Kruger:2000:PIC,
author = "Sven Kr{\"u}ger and Thomas J. Seem{\"u}ller and
Alexander W{\"o}rndle and Notker R{\"o}sch",
title = "Properties of isomers of the cluster {Ni$_8$} from
density functional studies",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "567--574",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505382/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505382/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505382&PLACEBO=IE.pdf",
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{Ladadwa:2000:CBE,
author = "Imad Ladadwa and Sabre Kais",
title = "Critical behavior of electron impact ionization of
atoms",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "575--581",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505423/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505423/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505423&PLACEBO=IE.pdf",
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{Fournier:2000:MHD,
author = "Ren{\'e} Fournier and Nan Jiang",
title = "Model {Hamiltonians} derived from {Kohn--Sham}
theory",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "582--590",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505366/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505366/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505366&PLACEBO=IE.pdf",
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{Wang:2000:DCE,
author = "Jian Wang and Alexei A. Stuchebrukhov",
title = "{DFT} calculation of electron tunneling currents:
{Real}-space (grid) molecular orbitals vs.
{Gaussian}-type molecular orbitals",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "591--597",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505393/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505393/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505393&PLACEBO=IE.pdf",
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{Andreoni:2000:DFT,
author = "Wanda Andreoni and Alessandro Curioni and Henrik
Gr{\"o}nbeck",
title = "Density functional theory approach to thiols and
disulfides on gold: {Au(111)} surface and clusters",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "598--608",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505383/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505383/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505383&PLACEBO=IE.pdf",
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{Perez-Marin:2000:DFS,
author = "L. Perez-Mar{\'\i}n and M. Castro and E.
Otazo-S{\'a}nchez and G. A. Cisneros",
title = "Density functional study of molecular recognition and
reactivity of thiourea derivatives used in sensors for
heavy metal polluting cations",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "609--622",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505384/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505384/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505384&PLACEBO=IE.pdf",
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{Seijo:2000:IMP,
author = "Luis Seijo and Zoila Barandiar{\'a}n and Donald S.
McClure",
title = "Ab initio model potential embedded cluster calculation
of the absorption spectrum of
{Cs$_2$GeF$_6$:Mn$^{4+}$}. {Large} discrepancies
between theory and experiment",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "623--635",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505411/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505411/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505411&PLACEBO=IE.pdf",
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{Gorelsky:2000:MSR,
author = "Sergey I. Gorelsky and A. B. P. Lever",
title = "Metastable states of ruthenium {(II)} nitrosyl
complexes and comparison with {[Fe(CN)$_5$
NO]$^{2-}$}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "636--645",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505419/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505419/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505419&PLACEBO=IE.pdf",
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{Oda:2000:TSM,
author = "Akifumi Oda and Hidemi Nagao and Yasutaka Kitagawa and
Yasuteru Shigeta and Kizashi Yamaguchi",
title = "Theoretical studies on magnetic behavior in clusters
by the genetic algorithms",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "646--656",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505376/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505376/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505376&PLACEBO=IE.pdf",
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{delaPortilla:2000:TSI,
author = "C. de la Portilla and A. Cruz and H. Luna-Garc{\'\i}a
and E. Poulain and V. Bertin and S. Castillo",
title = "Theoretical study of interaction of small clusters of
{IrPt} with {H$_2$}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "657--663",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505385/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505385/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505385&PLACEBO=IE.pdf",
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{Yamanaka:2000:GSD,
author = "S. Yamanaka and D. Yamaki and Y. Shigeta and H. Nagao
and Y. Yoshioka and N. Suzuki and K. Yamaguchi",
title = "Generalized spin density functional theory for
noncollinear molecular magnetism",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "664--671",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505394/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505394/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505394&PLACEBO=IE.pdf",
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{Kwasniewski:2000:OPT,
author = "S. P. Kwasniewski and M. S. Deleuze and J. P.
Fran{\c{c}}ois",
title = "Optical properties of {\em trans\/}-stilbene using
semiempirical and time-dependent density functional
theory: {A} comparative study",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "672--680",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505367/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505367/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505367&PLACEBO=IE.pdf",
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{Takano:2000:DFP,
author = "Y. Takano and T. Onishi and Y. Kitagawa and T. Soda
and Y. Yoshioka and K. Yamaguchi",
title = "Density functional and post-{Hartree--Fock} studies on
effective exchange interaction of $d$-$ \pi $-$d$
conjugated systems involving $m$-phenylene-type
bridge",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "681--691",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505428/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505428/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505428&PLACEBO=IE.pdf",
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{March:2000:PTI,
author = "N. H. March",
title = "Phase transitions in insulating molecular fluids and
in assemblies of charged particles",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "692--700",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505387/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505387/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505387&PLACEBO=IE.pdf",
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{Yamaki:2000:MTD,
author = "D. Yamaki and Y. Shigeta and S. Yamanaka and H. Nagao
and K. Yamaguchi",
title = "{MP2}, {Tamm--Dancoff}, and {RPA} methods based on the
generalized {HF} solution",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "701--707",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505412/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505412/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505412&PLACEBO=IE.pdf",
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{Zhang:2000:ISG,
author = "Q.-M. Zhang and Huimin Cai and Zhenyu Zhang",
title = "Ab initio studies of {Ge} addimers on the {Si(100)}
surface",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "708--712",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505395/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505395/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505395&PLACEBO=IE.pdf",
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:2000:LCS,
author = "Sven Larsson and Agris Klimk{\=a}ns",
title = "Localization, conductivity, and superconductivity",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "713--720",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505388/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505388/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505388&PLACEBO=IE.pdf",
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{Nagao:2000:TSS,
author = "Hidemi Nagao and Masamichi Nishino and Yasuteru
Shigeta and Yasunori Yoshioka and Kizashi Yamaguchi",
title = "Theoretical studies on superconducting and other
phases: {Triplet} superconductivity, ferromagnetism,
and ferromagnetic metal",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "721--732",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505377/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505377/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505377&PLACEBO=IE.pdf",
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{Keffer:2000:EPA,
author = "D. J. Keffer and J. W. Mintmire",
title = "Efficient parallel algorithms for molecular dynamics
simulations using variable charge transfer
electrostatic potentials",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "733--742",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505420/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505420/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505420&PLACEBO=IE.pdf",
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{Li:2000:TVR,
author = "Xiangzhu Li and Josef Paldus",
title = "Truncated version of the reduced multireference
coupled-cluster method with perturbation selection of
higher than pair clusters",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "743--756",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505413/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505413/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505413&PLACEBO=IE.pdf",
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{Kowalski:2000:CSS,
author = "K. Kowalski and P. Piecuch",
title = "Complete set of solutions of the generalized {Bloch}
equation",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "757--781",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505389/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505389/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505389&PLACEBO=IE.pdf",
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{Meissner:2000:DIS,
author = "Holger Meissner and Josef Paldus",
title = "Direct iterative solution of the generalized {Bloch}
equation. {V}. {Application} to {N$_2$}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "782--798",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505401/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505401/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505401&PLACEBO=IE.pdf",
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{Brandell:2000:COA,
author = "D. Brandell and M. Klintenberg and A. Aabloo and J. O.
Thomas",
title = "Calculation of the optical absorption spectrum of
{ErCl$_3$} in poly(ethylene oxide) {(PEO)}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "799--806",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505368/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505368/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505368&PLACEBO=IE.pdf",
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{Rohlfing:2000:ESM,
author = "Michael Rohlfing",
title = "Excited states of molecules from {Green}'s function
perturbation techniques",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "807--815",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505409/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505409/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505409&PLACEBO=IE.pdf",
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{Mayer:2000:QMT,
author = "Alexandre Mayer and Mark J. Hagmann and Jean-Pol
Vigneron",
title = "Quantum mechanical theory of electronic
photon-stimulated field emission by transfer matrices
and {Green}'s functions",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "816--823",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505390/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505390/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505390&PLACEBO=IE.pdf",
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{Boettger:2000:AEL,
author = "J. C. Boettger and A. K. Ray",
title = "All-electron {LCGTO} calculations for uranium
dioxide",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "824--830",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505369/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505369/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505369&PLACEBO=IE.pdf",
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{Dolgounitcheva:2000:EPC,
author = "O. Dolgounitcheva and V. G. Zakrzewski and J. V.
Ortiz",
title = "Electron propagator calculations on uracil and adenine
ionization energies",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "831--835",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505424/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505424/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505424&PLACEBO=IE.pdf",
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{Zakrzewski:2000:EEP,
author = "V. G. Zakrzewski and O. Dolgounitcheva and J. V.
Ortiz",
title = "Efficient electron propagator algorithms for shakeup
final states: {Anthracene} and acridine",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "836--841",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505404/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505404/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505404&PLACEBO=IE.pdf",
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{Jones:2000:EAP,
author = "H. W. Jones and J. L. Jain",
title = "Eigenvalues to arbitrary precision for one-dimensional
{Schr{\"o}dinger} equations by the shooting method
using integer arithmetic",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "842--847",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505414/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505414/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505414&PLACEBO=IE.pdf",
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{Arteca:2000:RMG,
author = "Gustavo A. Arteca and O. Tapia",
title = "Relative measure of geometrical entanglement to study
folding-unfolding transitions. {Application} to
analysis of molecular dynamics trajectories of proteins
{\em in vacuo}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "848--855",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505400/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505400/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505400&PLACEBO=IE.pdf",
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{Fripiat:2000:CAP,
author = "Joseph G. Fripiat and Isabelle Flamant and Frank E.
Harris and Joseph Delhalle",
title = "Computational aspects of polymer band structure
calculations by the {Fourier} space restricted
{Hartree--Fock} method",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "856--862",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505378/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505378/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505378&PLACEBO=IE.pdf",
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{Jacquemin:2000:OGS,
author = "Denis Jacquemin and Beno{\^\i}t Champagne",
title = "Optimizing the geometry of stereoregular polymers.
{III}. {Polyyne} and the basis set quasi-linear
dependence",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "863--870",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505386/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505386/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505386&PLACEBO=IE.pdf",
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{Quinet:2000:HEU,
author = "Olivier Quinet and Beno{\^\i}t Champagne",
title = "Hybridization effect upon the vibrational second
hyperpolarizability: {An} ab initio study of acetylene,
ethylene, and ethane",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "871--881",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505415/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505415/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505415&PLACEBO=IE.pdf",
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{Shigeta:2000:TSD,
author = "Y. Shigeta and H. Nagao and J. Toyoda and Y. Morita
and K. Nakasuji and Y. Yoshioka and K. Yamaguchi",
title = "Theoretical study on dependency of conductivity on
structure of the proton- and electron-coupled system",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "882--891",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505370/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505370/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505370&PLACEBO=IE.pdf",
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{Lauenstein:2000:MDS,
author = "Albert Lauenstein and Kersti Hermansson and Jan
Lindgren and Michael Probst and Philippe A. Bopp",
title = "Molecular dynamics simulation of an aqueous
{aluminium(III)} chloride solution with three-body
interactions",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "892--906",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505425/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505425/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505425&PLACEBO=IE.pdf",
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{Yoshimoto:2000:NMC,
author = "T. Yoshimoto and A. Yoshinaga and A. Yamada and Y.
Ohta and K. Nishikawa",
title = "Nonadiabatic {Monte Carlo} simulation of {H} and
{H$_3$}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "907--915",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505402/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505402/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505402&PLACEBO=IE.pdf",
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{Burcl:2000:BQB,
author = "R. Burcl and P. Piecuch and V. {\v{S}}pirko and O.
Bludsk{\'y}",
title = "Bound and quasi-bound states of the {Li FH} {van der
Waals} molecule",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "916--933",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505371/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505371/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505371&PLACEBO=IE.pdf",
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{Ritchie:2000:NST,
author = "Burke Ritchie and Charles A. Weatherford",
title = "Numerical solution of the time-dependent
{Schr{\"o}dinger} equation for continuum states",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "934--941",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505416/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505416/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505416&PLACEBO=IE.pdf",
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{Koppel:2000:FWD,
author = "H. K{\"o}ppel and M. D{\"o}scher and S. Mahapatra",
title = "Femtosecond wavepacket dynamics on strongly coupled
potential energy surfaces",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "942--949",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505405/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505405/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505405&PLACEBO=IE.pdf",
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{Malinovskaya:2000:RCT,
author = "S. A. Malinovskaya and L. S. Cederbaum",
title = "The role of coherence and time in the mechanism of
dynamical symmetry breaking and localization",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "950--957",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505379/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505379/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505379&PLACEBO=IE.pdf",
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{Sadeghpour:2000:CIA,
author = "H. R. Sadeghpour",
title = "Channel interaction in alkali-halide
photodissociation: {Interferometric} lineshapes and
dynamic switching",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "958--965",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505421/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505421/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505421&PLACEBO=IE.pdf",
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{Hagelberg:2000:PTS,
author = "F. Hagelberg",
title = "Pseudoprecession of triatomic systems by electron
nuclear dynamics theory",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "966--988",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505396/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505396/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505396&PLACEBO=IE.pdf",
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{Paikeday:2000:PPA,
author = "Joseph M. Paikeday",
title = "Polarization potential for e-atom scattering by {DCS}
minimization at intermediate energies",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "989--998",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505406/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505406/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505406&PLACEBO=IE.pdf",
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{FernandesdeOliveira:2000:MDS,
author = "C{\'e}sar Augusto {Fernandes de Oliveira} and
Cristiano Ruch Werneck Guimar{\~a}es and Ricardo Bicca
de Alencastro",
title = "Molecular dynamics study on liquid 1-octanol",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "999--1006",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505426/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505426/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505426&PLACEBO=IE.pdf",
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{Valeyev:2000:ALR,
author = "V. G. Valeyev and M. J. Hagmann",
title = "{AC} linear response of a resonant tunneling system",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1007--1010",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505372/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505372/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505372&PLACEBO=IE.pdf",
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{Saha:2000:SCC,
author = "Bidhan C. Saha and Anil Kumar",
title = "State-changing collisions of low-{Rydberg Na} atoms
with ground state {He} atoms: {A} low-energy study
involving spherical and nonspherical initial target
states",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1011--1023",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505391/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505391/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505391&PLACEBO=IE.pdf",
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{Skurski:2000:HCO,
author = "Piotr Skurski and Maciej Gutowski and Jack Simons",
title = "How to choose a one-electron basis set to reliably
describe a dipole-bound anion",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1024--1038",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505397/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505397/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505397&PLACEBO=IE.pdf",
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{Das:2000:TME,
author = "G. P. Das and A. T. Yeates and D. S. Dudis",
title = "Theoretical model for excited-state absorption",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1039--1042",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505373/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505373/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505373&PLACEBO=IE.pdf",
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{Hayashi:2000:ADM,
author = "M. Hayashi and T.-S. Yang and C. H. Chang and K. K.
Liang and R.-L. Chang and S. H. Lin",
title = "Application of the density matrix method to
spectroscopy and dynamics of photosynthetic reaction
centers",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1043--1054",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505403/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505403/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505403&PLACEBO=IE.pdf",
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{Martin:2000:SEE,
author = "Gra{\c{c}}a M. B. Martin and Maria Domingues Vargas
and Carlos Jorge da Cunha and Joaquim Delphino {Da
Motta Neto}",
title = "Solvent effects on the electronic absorption spectrum
and evaluation of nonlinear optical {(NLO)} properties
of {[Co$_2 \mu $-$
\eta^2${-(C$_6$H$_5$)CC(C$_6$H$_4$NO$_2$)}(CO)$_6$]}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1055--1061",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505407/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505407/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505407&PLACEBO=IE.pdf",
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{Urahata:2000:MCQ,
author = "Sergio Urahata and Sylvio Canuto",
title = "{Monte Carlo}-quantum mechanics study of the
{UV}-visible spectrum of benzophenone in water",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1062--1067",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505398/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505398/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505398&PLACEBO=IE.pdf",
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{Ohta:2000:AAP,
author = "Y. Ohta and T. Yoshimoto and T. Bando and H. Kizu and
H. Nagao and K. Nishikawa",
title = "Analysis of adiabatic population transfer in
multilevel systems by {H{\"u}ckel} model",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1068--1075",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505422/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505422/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505422&PLACEBO=IE.pdf",
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{DosSantos:2000:QMI,
author = "H{\'e}lio F. {Dos Santos} and Luiz F. C. {De Oliveira}
and S{\'o}crates O. Dantas and Paulo S. Santos and
Wagner B. {De Almeida}",
title = "Quantum mechanical investigation of the tautomerism in
the azo dye {Sudan III}",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1076--1086",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505380/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505380/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505380&PLACEBO=IE.pdf",
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{Dobrowolski:2000:CCH,
author = "Jan Cz. Dobrowolski and Aleksander P. Mazurek",
title = "{C}$_{60}$ {Cyclized} hook-and-ladder carbynes",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1087--1098",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505392/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505392/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505392&PLACEBO=IE.pdf",
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{Sakai:2000:TAC,
author = "Shogo Sakai",
title = "Theoretical analysis of the {Cope} rearrangement of
1,5-hexadiene",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1099--1106",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505417/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505417/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505417&PLACEBO=IE.pdf",
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{Gross:2000:SEP,
author = "Kevin C. Gross and Paul G. Seybold",
title = "Substituent effects on the physical properties and
{pK}$_a$ of aniline",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1107--1115",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505418/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505418/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505418&PLACEBO=IE.pdf",
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{Shishkin:2000:SNN,
author = "Oleg V. Shishkin and Leonid Gorb and Pavel Hobza and
Jerzy Leszczynski",
title = "Structural nonrigidity of nucleic acid bases.
{Post-Hartree--Fock} ab initio study",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1116--1124",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505408/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505408/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505408&PLACEBO=IE.pdf",
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{Mohanty:2000:PRL,
author = "D. Mohanty and R. Elber and D. Thirumalai",
title = "Probing the role of local propensity in peptide turn
formation",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1125--1128",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505427/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505427/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505427&PLACEBO=IE.pdf",
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{Recamier:2000:GEC,
author = "J. R{\'e}camier and O. Casta{\~n}os and R.
J{\'a}uregui and A. Frank",
title = "Generation and evolution of collective atomic states",
journal = j-IJQC,
volume = "80",
number = "4--5",
pages = "1129--1135",
month = "????",
year = "2000",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Nov 7 07:28:14 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/73505374/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/73505374/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=73505374&PLACEBO=IE.pdf",
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{Ohrn:2000:Ib,
author = "N. Y. {\"O}hrn and J. R. Sabin",
title = "Introduction",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1137--1137",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1137::AID-QUA1>3.0.CO;2-C",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75501738/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75501738/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75501738&PLACEBO=IE.pdf",
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{Anonymous:2000:LPe,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1138--1163",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1138::AID-QUA2>3.0.CO;2-6",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502060/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502060/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502060&PLACEBO=IE.pdf",
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{King:2000:MSI,
author = "James W. King and Stephen P. Molnar",
title = "Molecular structural index control in
property-directed clustering and correlation",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1164--1171",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1164::AID-QUA3>3.0.CO;2-C",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502058/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502058/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502058&PLACEBO=IE.pdf",
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{Rovira:2000:FPM,
author = "Carme Rovira and Michele Parrinello",
title = "First-principles molecular dynamics simulations of
models for the myoglobin active center",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1172--1180",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1172::AID-QUA4>3.0.CO;2-E",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502059/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502059/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502059&PLACEBO=IE.pdf",
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{Chun:2000:TMS,
author = "Paul W. Chun",
title = "Thermodynamic molecular switch in biological systems",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1181--1198",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1181::AID-QUA5>3.0.CO;2-D",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75501735/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75501735/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75501735&PLACEBO=IE.pdf",
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{Randic:2000:CPP,
author = "Milan Randi{\'c} and Denise Mills and Subhash C.
Basak",
title = "On characterization of physical properties of amino
acids",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1199--1209",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1199::AID-QUA6>3.0.CO;2-M",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75501733/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75501733/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75501733&PLACEBO=IE.pdf",
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{Pecur:2000:CES,
author = "S. Pe{\v{c}}ur and L. Klasinc and K. Stettmaier and W.
Bors and S. P. McGlynn",
title = "Calculations and electron spin resonance spectra of
syringic and sinapinic acid",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1210--1215",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1210::AID-QUA7>3.0.CO;2-E",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75501737/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75501737/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75501737&PLACEBO=IE.pdf",
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{Murray:2000:CMS,
author = "Jane S. Murray and Zenaida Peralta-Inga and Peter
Politzer",
title = "Computed molecular surface electrostatic potentials of
the nonionic and zwitterionic forms of glycine,
histidine, and tetracycline",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1216--1223",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1216::AID-QUA8>3.0.CO;2-U",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75501736/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75501736/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75501736&PLACEBO=IE.pdf",
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{Reimers:2000:NSP,
author = "Jeffrey R. Reimers and Michael C. Hutter and Jason M.
Hughes and Noel S. Hush",
title = "Nature of the special-pair radical cation in bacterial
photosynthesis",
journal = j-IJQC,
volume = "80",
number = "6",
pages = "1224--1243",
month = "????",
year = "2000",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2000)80:6<1224::AID-QUA9>3.0.CO;2-W",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75501734/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75501734/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75501734&PLACEBO=IE.pdf",
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{Christov:2001:NCM,
author = "S. G. Christov",
title = "Nonlinear coupling model for reactions in dense
media",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "1--3",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<1::AID-QUA2>3.0.CO;2-6",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502156/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502156/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502156&PLACEBO=IE.pdf",
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{Senthilkumar:2001:SCH,
author = "K. Senthilkumar and M. Ramaswamy and P. Kolandaivel",
title = "Studies of chemical hardness and {Fukui} function
using the exact solution of the density functional
theory",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "4--10",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<4::AID-QUA3>3.0.CO;2-V",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502155/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502155/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502155&PLACEBO=IE.pdf",
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{Cassam-Chenai:2001:AFM,
author = "P. Cassam-Chena{\"\i}",
title = "Analytical formulas for the magnetic field produced by
a spin or a paramagnetic current density in the case of
{Gaussian} basis functions",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "11--15",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<11::AID-QUA4>3.0.CO;2-S",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502169/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502169/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502169&PLACEBO=IE.pdf",
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{Rico:2001:FCI,
author = "J. Fern{\'a}ndez Rico and J. J. Fern{\'a}ndez and I.
Ema and R. L{\'o}pez and G. Ram{\'\i}rez",
title = "Four-center integrals for {Gaussian} and exponential
functions",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "16--28",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<16::AID-QUA5>3.0.CO;2-A",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502161/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502161/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502161&PLACEBO=IE.pdf",
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{Palacios:2001:RDG,
author = "Jos{\'e} Luis Palacios",
title = "Resistance distance in graphs and random walks",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "29--33",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<29::AID-QUA6>3.0.CO;2-Y",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502159/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502159/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502159&PLACEBO=IE.pdf",
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{Shapley:2001:PPD,
author = "Warwick A. Shapley and Delano P. Chong",
title = "{PW86}-{PW91} density functional calculation of
vertical ionization potentials: {Some} implications for
present-day functionals",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "34--52",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<34::AID-QUA7>3.0.CO;2-8",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502157/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502157/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502157&PLACEBO=IE.pdf",
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{Lee:2001:BTM,
author = "H. Y. Lee and S. P. Wang and T. C. Chang",
title = "Bond types of molecular orbitals and the photoelectron
spectrum",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "53--65",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<53::AID-QUA8>3.0.CO;2-6",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502170/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502170/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502170&PLACEBO=IE.pdf",
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{Buck:2001:EAS,
author = "Henk Buck",
title = "Elementary addition-substitution reactions.
{H{\"u}ckel} approach for the description of aromatic
and antiaromatic arylmethyl cations",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "66--75",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<66::AID-QUA9>3.0.CO;2-U",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502162/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502162/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502162&PLACEBO=IE.pdf",
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{Quintao:2001:VBS,
author = "A. D. Quint{\~a}o and R. O. Vianna",
title = "Valence bond study of the fragmentation of {C$_{2v}$
Li$_4^-$} cluster",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "76--89",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<76::AID-QUA10>3.0.CO;2-0",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502168/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502168/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502168&PLACEBO=IE.pdf",
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{Upadhyay:2001:ISW,
author = "D. M. Upadhyay and M. K. Shukla and P. C. Mishra",
title = "An ab initio study of water clusters in gas phase and
bulk aqueous media: {(H$_2$O)$_n$}, $ n = 1 {\rm -
-}12$",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "90--104",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<90::AID-QUA11>3.0.CO;2-Y",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502171/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502171/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502171&PLACEBO=IE.pdf",
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{Mitnik:2001:LND,
author = "Daniel Glossman Mitnik and Alfredo M{\'a}rquez
Lucero",
title = "Local and nonlocal density functional calculations of
the molecular structure of isomeric thiadiazole
monoxides",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "105--115",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<105::AID-QUA12>3.0.CO;2-7",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502158/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502158/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502158&PLACEBO=IE.pdf",
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{Ohrn:2001:POL,
author = "Yngve {\"O}hrn and John R. Sabin and Erkki
Br{\"a}ndas",
title = "{Per-Olov L{\"o}wdin} 1916--2000",
journal = j-IJQC,
volume = "81",
number = "1",
pages = "i--ii",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:1<1::AID-QUA1>3.0.CO;2-9",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:28 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/75502160/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/75502160/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75502160&PLACEBO=IE.pdf",
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{Guseinov:2001:CAM,
author = "I. I. Guseinov and B. A. Mamedov",
title = "On the calculation of arbitrary multielectron
molecular integrals over {Slater}-type orbitals using
recurrence relations for overlap integrals. {II}.
{Two}-center expansion method",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "117--125",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<117::AID-QUA1>3.0.CO;2-L",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500933/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500933/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500933&PLACEBO=IE.pdf",
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{Guseinov:2001:EEC,
author = "I. I. Guseinov",
title = "Evaluation of expansion coefficients for translation
of {Slater}-type orbitals using complete orthonormal
sets of exponential-type functions",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "126--129",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<126::AID-QUA2>3.0.CO;2-K",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500931/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500931/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500931&PLACEBO=IE.pdf",
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{Khait:2001:PUG,
author = "Yuriy G. Khait and Mark R. Hoffmann",
title = "Possible use of genealogical spin-adapted functions in
the table-{CI} method",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "130--134",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<130::AID-QUA3>3.0.CO;2-Y",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500929/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500929/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500929&PLACEBO=IE.pdf",
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{Palacios:2001:CFF,
author = "Jos{\'e} Luis Palacios",
title = "Closed-form formulas for {Kirchhoff} index",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "135--140",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<135::AID-QUA4>3.0.CO;2-G",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500936/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500936/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500936&PLACEBO=IE.pdf",
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{Planelles:2001:LOB,
author = "Josep Planelles",
title = "Ladder operators and boundary conditions",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "141--147",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<141::AID-QUA5>3.0.CO;2-O",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500934/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500934/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500934&PLACEBO=IE.pdf",
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{Rico:2001:NPM,
author = "J. Fern{\'a}ndez Rico and R. L{\'o}pez and A. Aguado
and I. Ema and G. Ram{\'\i}rez",
title = "New program for molecular calculations with
{Slater}-type orbitals",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "148--153",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<148::AID-QUA6>3.0.CO;2-0",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500932/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500932/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500932&PLACEBO=IE.pdf",
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{Meng:2001:LAA,
author = "Qingtian Meng and Yujun Zheng and Shiliang Ding",
title = "{Lie} algebraic approach to {Fermi} resonance levels
of {CS$_2$} and {CO$_2$}",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "154--161",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<154::AID-QUA7>3.0.CO;2-8",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500930/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500930/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500930&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Cao:2001:DFT,
author = "Zexing Cao and Miquel Sol{\`a} and Hui Xian and Miquel
Duran and Qianer Zhang",
title = "Density functional theory study of the structures and
stabilities of {CuO} and {CuO$_3$}",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "162--168",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<162::AID-QUA8>3.0.CO;2-A",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500937/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500937/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500937&PLACEBO=IE.pdf",
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{Siegbahn:2001:TSM,
author = "Per E. M. Siegbahn and Maria Wirstam and Marc Zimmer",
title = "Theoretical study of the mechanism of peptide ring
formation in green fluorescent protein",
journal = j-IJQC,
volume = "81",
number = "2",
pages = "169--186",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:2<169::AID-QUA9>3.0.CO;2-N",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:29 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76500935/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76500935/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76500935&PLACEBO=IE.pdf",
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{DaMottaNeto:2001:NPS,
author = "Joaquim Delphino {Da Motta Neto} and Michael C.
Zerner",
title = "New parametrization scheme for the resonance integrals
({H$_\mu $}) within the {INDO/1} approximation. {Main}
group elements",
journal = j-IJQC,
volume = "81",
number = "3",
pages = "187--201",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:3<187::AID-QUA1>3.0.CO;2-B",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:31 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76504665/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76504665/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76504665&PLACEBO=IE.pdf",
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{Goscinski:2001:CDE,
author = "Osvaldo Goscinski",
title = "Calculation of dispersion energy shifts in molecular
electronic spectra using sum rules",
journal = j-IJQC,
volume = "81",
number = "3",
pages = "202--205",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:3<202::AID-QUA2>3.0.CO;2-S",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:31 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76504670/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76504670/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76504670&PLACEBO=IE.pdf",
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{Na:2001:QTR,
author = "Kyungsun Na and Robert E. Wyatt",
title = "Quantum trajectories for resonant scattering",
journal = j-IJQC,
volume = "81",
number = "3",
pages = "206--213",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:3<206::AID-QUA3>3.0.CO;2-D",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:31 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76504662/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76504662/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76504662&PLACEBO=IE.pdf",
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{Yang:2001:DLA,
author = "Benhui Yang and Hongming Yin and Keli Han and Shiliang
Ding",
title = "Dynamical {Lie} algebraic treatment for the {A+BC}
scattering",
journal = j-IJQC,
volume = "81",
number = "3",
pages = "214--221",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:3<214::AID-QUA4>3.0.CO;2-F",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:31 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76504661/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76504661/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76504661&PLACEBO=IE.pdf",
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{Bu:2001:TIC,
author = "Yuxiang Bu and Dezhan Chan and Xinyu Song",
title = "Theoretical investigation of the cyclic {GaO$_2$} and
{GaS$_2$} molecules at {DFT} and correlated wave
function levels",
journal = j-IJQC,
volume = "81",
number = "3",
pages = "222--231",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:3<222::AID-QUA5>3.0.CO;2-H",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:31 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76504666/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76504666/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76504666&PLACEBO=IE.pdf",
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{Zheng:2001:TSR,
author = "Neng Wu Zheng and Yujie Sun and Dongxia Ma and Ruyi
Yang and Tao Zhou and Tao Wang",
title = "Theoretical study on regularity of changes in quantum
defects in {Rydberg} state series of many-valence
electron atoms within {WBEPM} theory",
journal = j-IJQC,
volume = "81",
number = "3",
pages = "232--237",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:3<232::AID-QUA6>3.0.CO;2-D",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:31 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76504671/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76504671/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76504671&PLACEBO=IE.pdf",
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{Machado:2001:ICX,
author = "Francisco B. C. Machado and Tapan K. Ghanty and Subhas
Chakravorty and Ernest R. Davidson",
title = "Ab initio calculations on {XF$_n^q$ (X = I, Xe, Cs,
and Ba; $ n = 1, 2, 4, {\rm and} 6$; $ q = - 1, 0, + 1,
{\rm and} + 2$)} molecules",
journal = j-IJQC,
volume = "81",
number = "3",
pages = "238--245",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:3<238::AID-QUA7>3.0.CO;2-T",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:31 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76504672/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76504672/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76504672&PLACEBO=IE.pdf",
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{Lundin:2001:NMS,
author = "Urban Lundin and Olle Eriksson",
title = "Novel method of self-interaction corrections in
density functional calculations",
journal = j-IJQC,
volume = "81",
number = "4",
pages = "247--252",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:4<247::AID-QUA1>3.0.CO;2-9",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:32 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76505741/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76505741/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76505741&PLACEBO=IE.pdf",
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{Cheranovskii:2001:ESH,
author = "V. O. Cheranovskii and E. V. Ezerskaya and M. V.
Krikunov",
title = "Excitation spectrum of {Hubbard} model with infinite
electron repulsion on strip-type triangular lattices",
journal = j-IJQC,
volume = "81",
number = "4",
pages = "253--259",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:4<253::AID-QUA2>3.0.CO;2-H",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:32 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76505740/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76505740/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76505740&PLACEBO=IE.pdf",
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{Gupta:2001:ROI,
author = "Ashish K. Gupta and Daniel Neuhauser",
title = "{Rabi}-oscillations-induced multiharmonic emission in
a {Maxwell--Schr{\"o}dinger} study of a dense sample of
molecules",
journal = j-IJQC,
volume = "81",
number = "4",
pages = "260--267",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:4<260::AID-QUA3>3.0.CO;2-M",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Fri Feb 22 09:02:31 2002",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76505737/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76505737/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76505737&PLACEBO=IE.pdf",
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{Fernandez:2001:FAM,
author = "Francisco M. Fern{\'a}ndez",
title = "Fast and accurate method for summation of divergent
series",
journal = j-IJQC,
volume = "81",
number = "4",
pages = "268--279",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:4<268::AID-QUA4>3.0.CO;2-W",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:32 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76505743/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76505743/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76505743&PLACEBO=IE.pdf",
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{Wang:2001:TSS,
author = "Su-Fan Wang and Ji-Kang Feng and Chia-Chung Sun and
Peng Liu and Zhen Gao and Fan-Ao Kong",
title = "Theoretical study of silicon-sulfur clusters
{(SiS$_2$)}$_n^-$ ($ n = 1 {\rm - -}6$)",
journal = j-IJQC,
volume = "81",
number = "4",
pages = "280--290",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:4<280::AID-QUA5>3.0.CO;2-E",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:32 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76505742/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76505742/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76505742&PLACEBO=IE.pdf",
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{Li:2001:QCS,
author = "Ming Li and Wenxu Zheng and Feng Yang and Anmin Tian",
title = "Quantum chemical study on enantioselective reduction
of keto oxime ether with borane catalyzed by
oxazaborolidine. {Part} 1. {Structures} of
catalyst-borane-keto oxime ether adducts",
journal = j-IJQC,
volume = "81",
number = "4",
pages = "291--304",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:4<291::AID-QUA6>3.0.CO;2-7",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:32 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76505739/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76505739/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76505739&PLACEBO=IE.pdf",
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{Anonymous:2001:A,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "81",
number = "4",
pages = "305--305",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:4<305::AID-QUA7>3.0.CO;2-Z",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:32 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76505738/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76505738/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76505738&PLACEBO=IE.pdf",
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{Gadella:2001:GDE,
author = "M. Gadella and R. Laura",
title = "{Gamow} dyads and expectation values",
journal = j-IJQC,
volume = "81",
number = "5",
pages = "307--320",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:5<307::AID-QUA1000>3.0.CO;2-5",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:33 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76511022/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76511022/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76511022&PLACEBO=IE.pdf",
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{Gineityte:2001:IEB,
author = "V. Gineityt{\.e}",
title = "Interpretation of energy bands of regular
quasi-one-dimensional systems in terms of local
structure",
journal = j-IJQC,
volume = "81",
number = "5",
pages = "321--331",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:5<321::AID-QUA1001>3.0.CO;2-2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:33 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76507291/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76507291/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76507291&PLACEBO=IE.pdf",
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{Harris:2001:KFL,
author = "Frank E. Harris",
title = "On {Kryachko}'s formula for the leaky aquifer
function",
journal = j-IJQC,
volume = "81",
number = "5",
pages = "332--334",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:5<332::AID-QUA1002>3.0.CO;2-W",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:33 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/bibnet/authors/h/harris-frank-e.bib;
https://www.math.utah.edu/pub/tex/bib/elefunt.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76507286/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76507286/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76507286&PLACEBO=IE.pdf",
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{Ryde:2001:SSR,
author = "Ulf Ryde and Mats H. M. Olsson",
title = "Structure, strain, and reorganization energy of blue
copper models in the protein",
journal = j-IJQC,
volume = "81",
number = "5",
pages = "335--347",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:5<335::AID-QUA1003>3.0.CO;2-Q",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:33 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76507288/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76507288/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76507288&PLACEBO=IE.pdf",
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{Kunitsyn:2001:ACV,
author = "V. G. Kunitsyn and L. E. Panin and L. M. Polyakov",
title = "Anomalous change of viscosity and conductivity in
blood plasma lipoproteins in the physiological
temperature range",
journal = j-IJQC,
volume = "81",
number = "5",
pages = "348--369",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:5<348::AID-QUA1004>3.0.CO;2-H",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:33 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76507290/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76507290/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76507290&PLACEBO=IE.pdf",
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{Anonymous:2001:BRa,
author = "Anonymous",
title = "Book review",
journal = j-IJQC,
volume = "81",
number = "5",
pages = "370--370",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:5<370::AID-QUA1005>3.0.CO;2-D",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:33 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76507292/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76507292/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76507292&PLACEBO=IE.pdf",
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{Anonymous:2001:BRb,
author = "Anonymous",
title = "Books received",
journal = j-IJQC,
volume = "81",
number = "5",
pages = "371--371",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:5<371::AID-QUA1006>3.0.CO;2-9",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:33 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76507287/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76507287/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76507287&PLACEBO=IE.pdf",
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{Dunlap:2001:DQC,
author = "Brett I. Dunlap",
title = "Direct quantum chemical integral evaluation",
journal = j-IJQC,
volume = "81",
number = "6",
pages = "373--383",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:6<373::AID-QUA1007>3.0.CO;2-3",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:34 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76509320/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76509320/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76509320&PLACEBO=IE.pdf",
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:2001:LPI,
author = "R. K. Nesbet",
title = "Local potentials in independent-electron models",
journal = j-IJQC,
volume = "81",
number = "6",
pages = "384--388",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:6<384::AID-QUA1008>3.0.CO;2-X",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:34 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76509321/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76509321/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76509321&PLACEBO=IE.pdf",
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{Guiasu:2001:TWF,
author = "Silviu Guiasu",
title = "Trial wave functions for multielectron atoms",
journal = j-IJQC,
volume = "81",
number = "6",
pages = "389--408",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:6<389::AID-QUA1009>3.0.CO;2-P",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:34 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76509322/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76509322/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76509322&PLACEBO=IE.pdf",
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{Titov:2001:GMC,
author = "A. V. Titov and N. S. Mosyagin and A. B. Alekseyev and
R. J. Buenker",
title = "{GRECP\slash MRD-CI} calculations of spin-orbit
splitting in ground state of {Tl} and of spectroscopic
properties of {TlH}",
journal = j-IJQC,
volume = "81",
number = "6",
pages = "409--421",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:6<409::AID-QUA1010>3.0.CO;2-0",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:34 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76509319/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76509319/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76509319&PLACEBO=IE.pdf",
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{Pereiro:2001:MPD,
author = "M. Pereiro and D. Baldomir and M. Iglesias and C.
Rosales and M. Castro",
title = "Model potential density functional study of small
cobalt clusters, {Co$_n$}, $ n \leq 3$",
journal = j-IJQC,
volume = "81",
number = "6",
pages = "422--430",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)81:6<422::AID-QUA1011>3.0.CO;2-Z",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:34 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76509304/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76509304/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76509304&PLACEBO=IE.pdf",
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{Doll:2001:AHF,
author = "K. Doll and V. R. Saunders and N. M. Harrison",
title = "Analytical {Hartree--Fock} gradients for periodic
systems",
journal = j-IJQC,
volume = "82",
number = "1",
pages = "1--13",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:1<1::AID-QUA1017>3.0.CO;2-W",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:36 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76510762/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76510762/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76510762&PLACEBO=IE.pdf",
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{Lai:2001:SVS,
author = "Chin-Hung Lai and Ming-Der Su and San-Yan Chu",
title = "Structures, vibrational spectra, and relative energies
of {HXSiS (X = H, F, and Cl)} isomers",
journal = j-IJQC,
volume = "82",
number = "1",
pages = "14--25",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:1<14::AID-QUA1022>3.0.CO;2-9",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:36 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76510763/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76510763/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76510763&PLACEBO=IE.pdf",
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{Berthier:2001:SIR,
author = "G. Berthier and M. Defranceschi and R. Montagnani and
O. Salvetti",
title = "Simulation of ab initio results for palladium and
rhodium clusters by tight-binding calculations",
journal = j-IJQC,
volume = "82",
number = "1",
pages = "26--33",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:1<26::AID-QUA1018>3.0.CO;2-O",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:36 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76510761/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76510761/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76510761&PLACEBO=IE.pdf",
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{Ren:2001:TSC,
author = "Yi Ren and Xin Wang and Ning-Bew Wong and An-Min Tian
and Fu-jiang Ding and Liangfu Zhang",
title = "Theoretical study of the {N$_{10}$} clusters without
double bonds",
journal = j-IJQC,
volume = "82",
number = "1",
pages = "34--43",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:1<34::AID-QUA1013>3.0.CO;2-1",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:36 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76510764/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76510764/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76510764&PLACEBO=IE.pdf",
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{Marino:2001:TET,
author = "T. Marino and N. Russo and E. Sicilia and M. Toscano",
title = "Tautomeric equilibria of 2- and 4-thiouracil in gas
phase and in solvent: {A} density functional study",
journal = j-IJQC,
volume = "82",
number = "1",
pages = "44--52",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:1<44::AID-QUA1020>3.0.CO;2-6",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:36 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/76510760/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/76510760/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=76510760&PLACEBO=IE.pdf",
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{Hamza:2001:ORLa,
author = "A. Hamza and I. Mayer",
title = "Overlap repulsion with {L{\"o}wdin}'s pairing
theorem",
journal = j-IJQC,
volume = "82",
number = "2",
pages = "53--59",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:2<53::AID-QUA1029>3.0.CO;2-B",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:37 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77502751/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77502751/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77502751&PLACEBO=IE.pdf",
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{Ye:2001:TSD,
author = "Song Ye",
title = "Theoretical study of the dehydrogenate reaction of
{H$_2$S} by {Sc$^+$} {($^1$D)}",
journal = j-IJQC,
volume = "82",
number = "2",
pages = "60--64",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:2<60::AID-QUA1015>3.0.CO;2-O",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:37 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77502748/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77502748/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77502748&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Yongjun:2001:ESF,
author = "Liu Yongjun and Liu Ying and Zhao Xian and Liu
Chengbu",
title = "Electronic spectra and first-order hyperpolarizability
of 4-(dicyanomethylene)-2,6-bis-(2$ \prime
$-thiophene-vinyl)-pyran derivatives",
journal = j-IJQC,
volume = "82",
number = "2",
pages = "65--72",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:2<65::AID-QUA1021>3.0.CO;2-U",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:37 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77502749/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77502749/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77502749&PLACEBO=IE.pdf",
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{Molder:2001:QCC,
author = "U. M{\"o}lder and P. Burk and I. A. Koppel",
title = "Quantum chemical calculations of geometries and
gas-phase deprotonation energies of linear polyyne
chains",
journal = j-IJQC,
volume = "82",
number = "2",
pages = "73--85",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:2<73::AID-QUA1025>3.0.CO;2-H",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:37 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77502750/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77502750/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77502750&PLACEBO=IE.pdf",
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{Trylska:2001:PAV,
author = "Joanna Trylska and Pawe{\l} Grochowski and Maciej
Geller",
title = "Parameterization of the approximate valence bond
{(AVB)} method to describe potential energy surface in
the reaction catalyzed by {HIV-1} protease",
journal = j-IJQC,
volume = "82",
number = "2",
pages = "86--103",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:2<86::AID-QUA1024>3.0.CO;2-E",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:37 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77502747/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77502747/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77502747&PLACEBO=IE.pdf",
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{Hamza:2001:ORLb,
author = "A. Hamza and I. Mayer",
title = "Overlap repulsion with {L{\"o}wdin}'s pairing theorem
{II}. {The} leading term",
journal = j-IJQC,
volume = "82",
number = "3",
pages = "105--112",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:3<105::AID-QUA1016>3.0.CO;2-S",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:38 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77004286/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77004286/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77004286&PLACEBO=IE.pdf",
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{Mukhopadhyay:2001:WSQ,
author = "S. Mukhopadhyay and K. Bhattacharyya and R. K.
Pathak",
title = "{Wilson--Sommerfeld} quantization rule revisited",
journal = j-IJQC,
volume = "82",
number = "3",
pages = "113--125",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:3<113::AID-QUA1019>3.0.CO;2-I",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:38 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77004284/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77004284/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77004284&PLACEBO=IE.pdf",
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{Centoducatte:2001:GBS,
author = "R. Centoducatte and F. E. Jorge and E. V. R. de
Castro",
title = "{Gaussian} basis sets for first-, third-, and
fourth-row positive and negative ions",
journal = j-IJQC,
volume = "82",
number = "3",
pages = "126--130",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:3<126::AID-QUA1023>3.0.CO;2-T",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:38 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77004287/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77004287/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77004287&PLACEBO=IE.pdf",
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{Tel:2001:CHO,
author = "L. M. Tel and E. P{\'e}rez-Romero and C. Valdemoro and
F. J. Casquero",
title = "Cancellation of high-order electron correlation
effects corresponding to eigenstates",
journal = j-IJQC,
volume = "82",
number = "3",
pages = "131--137",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:3<131::AID-QUA1027>3.0.CO;2-J",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:38 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77004289/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77004289/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77004289&PLACEBO=IE.pdf",
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{Nagy:2001:LTN,
author = "{\'A}. Nagy and N. H. March",
title = "{Legendre} transform of the noninteracting kinetic
energy: {Especially} from {March-Murray} perturbation
theory based on plane waves",
journal = j-IJQC,
volume = "82",
number = "3",
pages = "138--142",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:3<138::AID-QUA1028>3.0.CO;2-9",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:38 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77004283/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77004283/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77004283&PLACEBO=IE.pdf",
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{Soscun:2001:ABA,
author = "Humberto Sosc{\'u}n and Olga Castellano and Javier
Hern{\'a}ndez and Alan Hinchliffe",
title = "Acidity of the {Br{\"o}nsted} acid sites of zeolites",
journal = j-IJQC,
volume = "82",
number = "3",
pages = "143--150",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/1097-461X(2001)82:3<143::AID-QUA1014>3.0.CO;2-O",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:38 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/77004285/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/77004285/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=77004285&PLACEBO=IE.pdf",
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{Cafiero:2001:AGS,
author = "Mauricio Cafiero and Ludwik Adamowicz",
title = "Analytical gradients for {Singer}'s multicenter
$n$-electron explicitly correlated {Gaussians}",
journal = j-IJQC,
volume = "82",
number = "4",
pages = "151--159",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1034",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:39 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/78503195/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/78503195/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=78503195&PLACEBO=IE.pdf",
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{Hussein:2001:CEP,
author = "Wedad Hussein and Christopher G. Walker and Zenaida
Peralta-Inga and Jane S. Murray",
title = "Computed electrostatic potentials and average local
ionization energies on the molecular surfaces of some
tetracyclines",
journal = j-IJQC,
volume = "82",
number = "4",
pages = "160--169",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1031",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:39 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/78503193/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/78503193/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=78503193&PLACEBO=IE.pdf",
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{Mendizabal:2001:PCB,
author = "Fernando Mendizabal and Claudio Olea-Azar and Rodolfo
Briones",
title = "Phthalocyanoiron complex with bridged ligands.
{Electronic} structure of monomers and polymers",
journal = j-IJQC,
volume = "82",
number = "4",
pages = "170--181",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1037",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:39 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/78503191/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/78503191/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=78503191&PLACEBO=IE.pdf",
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{Larin:2001:QCC,
author = "A. V. Larin and D. P. Vercauteren",
title = "Quadrupole coupling constants {C$_{QQ}$} for $^2${H},
$^{27}${Al}, and $^{17}${O} atoms calculated at the
periodic {Hartree--Fock} level for understanding the
geometry of {H}-form aluminosilicates",
journal = j-IJQC,
volume = "82",
number = "4",
pages = "182--192",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1038",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:39 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/78503196/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/78503196/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=78503196&PLACEBO=IE.pdf",
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{Kryachko:2001:PDB,
author = "Eugene S. Kryachko and Sergey N. Volkov",
title = "Preopening of the {DNA} base pairs",
journal = j-IJQC,
volume = "82",
number = "4",
pages = "193--204",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1040",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:39 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/78503194/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/78503194/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=78503194&PLACEBO=IE.pdf",
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:2001:BR,
author = "Sven Larsson",
title = "Book review",
journal = j-IJQC,
volume = "82",
number = "4",
pages = "205--206",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1032",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:39 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/78503192/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/78503192/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=78503192&PLACEBO=IE.pdf",
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{Karlsson:2001:BR,
author = "Erik B. Karlsson",
title = "Book review",
journal = j-IJQC,
volume = "82",
number = "4",
pages = "207--208",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1033",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Apr 4 11:48:39 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/78503190/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/78503190/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=78503190&PLACEBO=IE.pdf",
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{Avery:2001:MSP,
author = "John Avery and Rune Shim",
title = "Molecular {Sturmians}. {Part} 1",
journal = j-IJQC,
volume = "83",
number = "1",
pages = "1--10",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1036",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:24 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/79502656/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/79502656/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=79502656&PLACEBO=IE.pdf",
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{Mondal:2001:QHL,
author = "Chandan Kumar Mondal and S. P. Bhattacharyya",
title = "Quantum hysteresis loops in coupled two-dimensional
microscopic systems: {Loop} area and energy
dissipation",
journal = j-IJQC,
volume = "83",
number = "1",
pages = "11--21",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1046",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:24 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/79502658/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/79502658/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=79502658&PLACEBO=IE.pdf",
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{Okuno:2001:EKE,
author = "Yoshishige Okuno",
title = "Expressing kinetic-energy for vibration-rotation
motions in general rotating systems of axes and
introducing quasirectilinear vibrational coordinates to
simplify {Hamiltonian} forms",
journal = j-IJQC,
volume = "83",
number = "1",
pages = "22--29",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1052",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:24 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/79502659/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/79502659/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=79502659&PLACEBO=IE.pdf",
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{Shen:2001:QCS,
author = "Ling-Ling Shen and Xiao-Dong Zhang and Qi-Yuan Zhang",
title = "Quantum chemistry study of proteins in bacterial
photosynthetic reaction center",
journal = j-IJQC,
volume = "83",
number = "1",
pages = "30--40",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1039",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:24 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/79502657/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/79502657/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=79502657&PLACEBO=IE.pdf",
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{Chen:2001:DCC,
author = "Zhong-Zhou Chen and Bo Tan and Yan-Mei Li and Yu-Fen
Zhao",
title = "Differentiation of {$ \alpha $-COOH} from {$ \beta
$-COOH} in aspartic acids by {N}-phosphorylation",
journal = j-IJQC,
volume = "83",
number = "1",
pages = "41--51",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1041",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:24 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/79502660/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/79502660/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=79502660&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Meng:2001:LGM,
author = "Qingtian Meng and Xizhang Yi and Daren Guan and
Shiliang Ding",
title = "A {Lie} group method for molecular rovibrational
spectra via the broken symmetry of {$ U^{(r)}(2)
\otimes U^{(v)}(4) $}",
journal = j-IJQC,
volume = "83",
number = "2",
pages = "53--59",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1057",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002392/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002392/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002392&PLACEBO=IE.pdf",
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{Chen:2001:EMP,
author = "Guangju Chen and Ruozhuang Liu and I.
Silaghi-Dumitrescu and G. Espinosa-Perez and A.
Zentella-Dehesa and F. Lara-Ochoa",
title = "Electronic and magnetic properties of
(tetrakis(2-pyridylmethyl)-ethylenediamine)iron({II})
perchlorate. {A} comparison of different computational
methods",
journal = j-IJQC,
volume = "83",
number = "2",
pages = "60--69",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1058",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002390/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002390/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002390&PLACEBO=IE.pdf",
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{Larin:2001:CCA,
author = "A. V. Larin and D. P. Vercauteren",
title = "Cumulative coordinates for approximations of
high-order atomic multipole moments in aluminosilicate
and aluminophosphate sieves",
journal = j-IJQC,
volume = "83",
number = "2",
pages = "70--85",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1051",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002389/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002389/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002389&PLACEBO=IE.pdf",
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{Bokes:2001:ECE,
author = "P. Bokes and I. {\v{S}}tich and L. Mitas",
title = "Electron correlation effects in ionic hydrogen
clusters",
journal = j-IJQC,
volume = "83",
number = "2",
pages = "86--95",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1061",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002391/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002391/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002391&PLACEBO=IE.pdf",
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{Politzer:2001:I,
author = "Peter Politzer and William L. Jorgensen and Jane S.
Murray",
title = "Introduction",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "97--97",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1200",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002582/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002582/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002582&PLACEBO=IE.pdf",
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{Anonymous:2001:LPa,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "98--103",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002585/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002585/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002585&PLACEBO=IE.pdf",
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{Neese:2001:CIC,
author = "Frank Neese",
title = "Configuration interaction calculation of electronic
$g$ tensors in transition metal complexes",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "104--114",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002590/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002590/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002590&PLACEBO=IE.pdf",
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{Gonzalez:2001:CMS,
author = "Oscar Galvez Gonzalez and Jane S. Murray and Zenaida
Peralta-Inga and Peter Politzer",
title = "Computed molecular surface electrostatic potentials of
two groups of reverse transcriptase inhibitors:
{Relationships} to anti-{HIV-1} activities",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "115--121",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002594/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002594/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002594&PLACEBO=IE.pdf",
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{Wade:2001:PIP,
author = "R. C. Wade and R. R. Gabdoulline and F. {De Rienzo}",
title = "Protein interaction property similarity analysis",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "122--127",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002581/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002581/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002581&PLACEBO=IE.pdf",
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{Alagona:2001:IMC,
author = "Giuliano Alagona and Caterina Ghio and Susanna Monti",
title = "Ab initio modeling of competitive drug-drug
interactions: 5-fluorouracil dimers in the gas phase
and in solution",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "128--142",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002586/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002586/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002586&PLACEBO=IE.pdf",
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{Bartolotti:2001:QMS,
author = "L. J. Bartolotti and L. G. Pedersen and T. J. Meyer",
title = "Quantum mechanical study of the oxidation pathway of
the oxygen-evolving catalyst, [(bpy)$_2$
{(H$_2$O)Ru$^{III}$-O-Ru$^{III}$
(H$_2$O)(bpy)$_2$}]$^{+4}$",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "143--149",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002591/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002591/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002591&PLACEBO=IE.pdf",
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{Deerfield:2001:MPZ,
author = "David W. {Deerfield II} and Charles W. {Carter, Jr.}
and Lee G. Pedersen",
title = "Models for protein-zinc ion binding sites. {II}. {The}
catalytic sites",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "150--165",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002601/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002601/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002601&PLACEBO=IE.pdf",
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{Tieleman:2001:MDS,
author = "D. P. Tieleman and M. S. P. Sansom",
title = "Molecular dynamics simulations of antimicrobial
peptides: {From} membrane binding to trans-membrane
channels",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "166--179",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002583/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002583/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002583&PLACEBO=IE.pdf",
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{Grembecka:2001:EMI,
author = "J. Grembecka and P. K{\k{e}}dzierski and W. A.
Sokalski and J. Leszczy{\'n}ski",
title = "Electrostatic models of inhibitory activity",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "180--192",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002587/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002587/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002587&PLACEBO=IE.pdf",
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{Hassan:2001:GSC,
author = "Sergio A. Hassan and Ernest L. Mehler",
title = "A general screened {Coulomb} potential based implicit
solvent model: {Calculation} of secondary structure of
small peptides",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "193--202",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002595/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002595/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002595&PLACEBO=IE.pdf",
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{Podolyan:2001:IPH,
author = "Yevgeniy Podolyan and Yury V. Rubin and Jerzy
Leszczy{\'n}ski",
title = "An ab initio post-{Hartree--Fock} study of vibrational
infrared spectra of 5-azacytosine and cytosine",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "203--212",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002592/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002592/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002592&PLACEBO=IE.pdf",
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{Hill:2001:SPC,
author = "Glake Hill and Robert W. Gora and Szczepan Roszak and
Jerzy Leszczy{\'n}ski",
title = "The structures and properties of {\em cis\/}- and {\em
trans\/}-{MeCl}$_2$ ({NH}$_3$)$_2$, {Me} $=$ {Pd} and
{Pt} complexes, in ground and excited states",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "213--219",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002588/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002588/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002588&PLACEBO=IE.pdf",
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{Wang:2001:BSF,
author = "Yan-Ni Wang and Leif A. Eriksson",
title = "{B3LYP} studies of the formation of neutral tyrosyl
radical {Y$_z^\cdot $} and regeneration of neutral
tyrosine {Y$_z$} in {PSII}",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "220--229",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002584/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002584/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002584&PLACEBO=IE.pdf",
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{Bredenberg:2001:MZS,
author = "Johan Bredenberg and Lennart Nilsson",
title = "Modeling zinc sulfhydryl bonds in zinc fingers",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "230--244",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002596/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002596/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002596&PLACEBO=IE.pdf",
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{Murray:2001:CCN,
author = "Jane S. Murray and Zenaida Peralta-Inga and Peter
Politzer and Kaushalya Ekanayake and Pierre LeBreton",
title = "Computational characterization of nucleotide bases:
{Molecular} surface electrostatic potentials and local
ionization energies, and local polarization energies",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "245--254",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002593/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002593/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002593&PLACEBO=IE.pdf",
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{Boudreaux:2001:MOS,
author = "Edward A. Boudreaux",
title = "Molecular orbital studies relating to potential
anticancer activity of {\em cis\/}-platinum ammines",
journal = j-IJQC,
volume = "83",
number = "3-4",
pages = "255--258",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1216",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:25 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/80002589/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/80002589/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=80002589&PLACEBO=IE.pdf",
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{Fan:2001:ASP,
author = "Peng-Dong Fan",
title = "Algebraic solutions for point groups: {The} octahedral
group for the group chain {$ O \supset T \supset C_3
$}",
journal = j-IJQC,
volume = "83",
number = "5",
pages = "259--270",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1079",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81002391/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81002391/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81002391&PLACEBO=IE.pdf",
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{Cruz:2001:CMI,
author = "S. A. Cruz and J. Soullard",
title = "Calculation of molecular integrals for systems
confined by hard spherical walls: {Use} of the
single-center expansion of floating spherical
{Gaussians}",
journal = j-IJQC,
volume = "83",
number = "5",
pages = "271--278",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1053",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81002392/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81002392/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81002392&PLACEBO=IE.pdf",
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{Xu:2001:NDV,
author = "Z. R. Xu and A. J. C. Varandas",
title = "Nuclear dynamics in the vicinity of a crossing seam:
{Vibrational} spectrum of {HD$_2$} revisited",
journal = j-IJQC,
volume = "83",
number = "5",
pages = "279--285",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1055",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81002389/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81002389/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81002389&PLACEBO=IE.pdf",
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{Li:2001:SEA,
author = "An Yong Li and Mu Zhen Liao",
title = "Symmetrization of eigenfunctions of angular momentum
in point groups",
journal = j-IJQC,
volume = "83",
number = "5",
pages = "286--302",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1059",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81002390/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81002390/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81002390&PLACEBO=IE.pdf",
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{Liu:2001:NST,
author = "Xue-Shen Liu and Li-Wei Su and Xiao-Yan Liu and
Pei-Zhu Ding",
title = "Numerical solution of a two-dimensional
time-independent {Schr{\"o}dinger} equation by using
symplectic schemes",
journal = j-IJQC,
volume = "83",
number = "5",
pages = "303--309",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1063",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81002393/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81002393/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81002393&PLACEBO=IE.pdf",
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{Zhuo:2001:RPE,
author = "Shuping Zhuo and Jichong Wei and Changsheng Shen and
Guanzhi Ju",
title = "Rules on pair electron correlation in {MOH} ({M} $=$
{H}, {Li}, {Na})",
journal = j-IJQC,
volume = "83",
number = "6",
pages = "311--317",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1064",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81502111/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81502111/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81502111&PLACEBO=IE.pdf",
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{Liao:2001:DFS,
author = "Hsin-Yi Liao and Ming-Der Su and Wen-Sheng Chung and
San-Yan Chu",
title = "Density functional study of the relative reactivity in
the concerted 1,3-dipolar cycloaddition of nitrile
ylide to disubstituted ethylenes",
journal = j-IJQC,
volume = "83",
number = "6",
pages = "318--323",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1062",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81501977/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81501977/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81501977&PLACEBO=IE.pdf",
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{Kohout:2001:ONA,
author = "M. Kohout",
title = "Occupation numbers for atomic shells in direct space
bounded by the maxima of the one-electron potential",
journal = j-IJQC,
volume = "83",
number = "6",
pages = "324--331",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1071",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81501978/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81501978/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81501978&PLACEBO=IE.pdf",
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{Chen:2001:TSI,
author = "P. C. Chen and S. C. Chen",
title = "Theoretical study of the internal rotational barriers
in nitrobenzene, 2-nitrotoluene, 2-nitrophenol, and
2-nitroaniline",
journal = j-IJQC,
volume = "83",
number = "6",
pages = "332--337",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1069",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81502112/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81502112/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81502112&PLACEBO=IE.pdf",
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{Arno:2001:UTD,
author = "Manuel Arn{\'o} and Luis R. Domingo",
title = "Using theozymes for designing transition-state analogs
for the intramolecular aldol reaction of$ \delta
$-diketones",
journal = j-IJQC,
volume = "83",
number = "6",
pages = "338--347",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1070",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81501979/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81501979/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81501979&PLACEBO=IE.pdf",
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{Linderberg:2001:BR,
author = "Jan Linderberg",
title = "Book review",
journal = j-IJQC,
volume = "83",
number = "6",
pages = "348--348",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1012",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/81501980/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/81501980/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=81501980&PLACEBO=IE.pdf",
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{Anonymous:2001:P,
author = "Anonymous",
title = "Preface",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "1--1",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1300",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002435/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002435/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002435&PLACEBO=IE.pdf",
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{Janezic:2001:SMD,
author = "Du{\v{s}}anka Jane{\v{z}}i{\v{c}} and Matej
Praprotnik",
title = "Symplectic molecular dynamics integration using normal
mode analysis",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "2--12",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002436/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002436/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002436&PLACEBO=IE.pdf",
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{Stambuk:2001:NCA,
author = "Nikola {\v{S}}tambuk and Pa{\v{s}}ko Konjevoda",
title = "New computational algorithm for the prediction of
protein folding types",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "13--22",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002437/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002437/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002437&PLACEBO=IE.pdf",
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{Trobec:2001:IEM,
author = "R. Trobec and M. {\v{S}}terk and M. Praprotnik and D.
Jane{\v{z}}i{\v{c}}",
title = "Implementation and evaluation of {MPI}-based parallel
{MD} program",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "23--31",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002438/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002438/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002438&PLACEBO=IE.pdf",
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{Balint:2001:NAC,
author = "Imre B{\'a}lint and Gergely Dezs and Iv{\'a}n
Gy{\'e}m{\'a}nt",
title = "A novel approach for calculating correlation energy
based on the two-electron density matrix formalism",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "32--38",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002439/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002439/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002439&PLACEBO=IE.pdf",
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{Tokmachev:2001:PES,
author = "A. M. Tokmachev and A. L. Tchougr{\'e}eff",
title = "Potential energy surfaces in hybrid quantum
mechanical\slash molecular mechanical methods",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "39--47",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002440/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002440/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002440&PLACEBO=IE.pdf",
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{Boyukata:2001:DDN,
author = "M. B{\"o}y{\"u}kata and Z. B. G{\"u}ven{\c{c}} and B.
Jackson and J. Jellinek",
title = "Dynamics of the {D$_2$} + {Ni(100)} collision system:
{Analysis} of the reactive and inelastic channels",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "48--57",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002441/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002441/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002441&PLACEBO=IE.pdf",
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{Tielens:2001:HCP,
author = "Frederik Tielens and Paul Geerlings",
title = "{Henry} constants predicted using multipole expansion
for the interaction energies",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "58--69",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502270/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502270/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502270&PLACEBO=IE.pdf",
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{Velasco:2001:RET,
author = "A. M. Velasco and E. Bustos and I. Mart{\'\i}n and C.
Lav{\'\i}n",
title = "{Rydberg} electron transitions of the atmospherically
important molecule {N$_2$O}",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "70--77",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002442/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002442/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002442&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
}
@Article{Valdes:2001:HLI,
author = "H. Vald{\'e}s and V. M. Ray{\'o}n and J. A. Sordo",
title = "High-level ab initio predictions of {CO$_2$ N$_2$ O}
structure",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "78--85",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002443/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002443/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002443&PLACEBO=IE.pdf",
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{Goller:2001:MSR,
author = "Andreas G{\"o}ller and E. Klemm and D. A. M. Egbe",
title = "Model systems for rod-like polyheteroarylethynylenes",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "86--98",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002444/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002444/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002444&PLACEBO=IE.pdf",
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{Tokmachev:2001:EHA,
author = "A. M. Tokmachev and A. L. Tchougr{\'e}eff and I. A.
Misurkin",
title = "Effective {Hamiltonian} approach to catalytic activity
of transition metal complexes",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "99--109",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002445/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002445/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002445&PLACEBO=IE.pdf",
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{Demuth:2001:AWM,
author = "Th. Demuth and L. Benco and J. Hafner and H.
Toulhoat",
title = "Adsorption of water in mordenite --- {An} ab initio
study",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "110--116",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002446/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002446/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002446&PLACEBO=IE.pdf",
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{Koziol:2001:NNM,
author = "J. Kozio{\l}",
title = "Neural network modeling of physical properties of
chemical compounds",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "117--126",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002447/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002447/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002447&PLACEBO=IE.pdf",
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{Largo:2001:TSC,
author = "Antonio Largo and Alvaro Cimas and Pilar Redondo and
Carmen Barrientos",
title = "Theoretical study of {C$_n$Cl}, {C$_n$Cl$^+$},
{C$_n$Cl$^-$} $ (n = 1 {\rm - -}7)$ clusters",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "127--135",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002448/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002448/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002448&PLACEBO=IE.pdf",
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{Laszlo:2001:TSF,
author = "Istv{\'a}n L{\'a}szl{\'o} and Andr{\'e} Rassat",
title = "Toroidal and spherical fullerene-like molecules with
only pentagonal and heptagonal faces",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "136--139",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002449/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002449/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002449&PLACEBO=IE.pdf",
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{Liebman:2001:DBP,
author = "Joel F. Liebman and Ivan {\v{C}}ernu{\v{s}}{\'a}k and
Andrea Mikov{\'a}",
title = "Dicoordinate boron and phosphorus. {HBCN$^-$} and
{HPCN$^-$} case study",
journal = j-IJQC,
volume = "84",
number = "1",
pages = "140--148",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:26 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84002450/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84002450/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84002450&PLACEBO=IE.pdf",
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{Parusel:2001:IAC,
author = "Andreas B. J. Parusel and Gottfried K{\"o}hler",
title = "Influence of the alkyl chain length on the
excited-state properties of 4-dialkyl-benzonitriles.
{A} theoretical {DFT\slash MRCI} study",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "149--156",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502327/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502327/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502327&PLACEBO=IE.pdf",
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{Pelikan:2001:ESP,
author = "P. Pelik{\'a}n and M. Ko{\v{s}}uth and S.
Biskupi{\v{c}} and J. Noga and M. Straka and A. Zajac
and P. Ba{\v{n}}ack{\'y}",
title = "Electron structure of polysilanes. {Are} these
polymers one-dimensional systems?",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "157--168",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1318",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502332/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502332/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502332&PLACEBO=IE.pdf",
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{Rodrigues:2001:MDP,
author = "Pedro C. R. Rodrigues and Fernando M. S. Silva
Fernandes",
title = "Molecular dynamics of phase transitions in clusters of
alkali halides",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "169--180",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1319",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502338/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502338/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502338&PLACEBO=IE.pdf",
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{Serrano-Andres:2001:TSS,
author = "Luis Serrano-Andr{\'e}s and Manuela Merch{\'a}n and
Antonio Carlos Borin and Jonna St{\aa}lring",
title = "Theoretical studies on the spectroscopy of the
7-azaindole monomer and dimer",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "181--191",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1320",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502339/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502339/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502339&PLACEBO=IE.pdf",
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{Takahashi:2001:IFO,
author = "Masae Takahashi and Tam{\'a}s Veszpr{\'e}mi and Mitsuo
Kira",
title = "Importance of frontier orbital interactions in
addition reaction of water to disilene",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "192--197",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1321",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502333/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502333/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502333&PLACEBO=IE.pdf",
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{Takahashi:2001:SEI,
author = "Masae Takahashi and Kenkichi Sakamoto and Mitsuo
Kira",
title = "Substituent effects on inversion motion of
4-silatriafulvene derivatives: {An} ab initio {MO}
study",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "198--207",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1322",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502328/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502328/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502328&PLACEBO=IE.pdf",
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{Boyukata:2001:SRN,
author = "M. B{\"o}y{\"u}kata and Z. B. G{\"u}ven{\c{c}} and S.
{\"O}z{\c{c}}elik and P. Durmus and J. Jellinek",
title = "Structure and reactivity of {Ni$_n$} $ (n = 7 {\rm -
-}14, 19)$ clusters",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "208--215",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1323",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502323/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502323/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502323&PLACEBO=IE.pdf",
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{Lazar:2001:EHM,
author = "Armand L{\'a}z{\'a}r and P{\'e}ter R. Surj{\'a}n and
Magnus Paulsson and Sven Stafstr{\"o}m",
title = "An effective hopping model for weakly interacting $
\pi $ systems: {Electronic} structure of stacked
polyaromatic hydrocarbons",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "216--225",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1324",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502340/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502340/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502340&PLACEBO=IE.pdf",
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{Ford:2001:ICS,
author = "Thomas A. Ford and Leslie Glasser",
title = "Ab initio calculations of the structural, energetic,
and vibrational properties of some hydrogen bonded and
{van der Waals} dimers. {Part} 4. {The} acetonitrile
dimer",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "226--240",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1325",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/84502334/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext/84502334/FILE?TPL=ftx_start;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=84502334&PLACEBO=IE.pdf",
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{Arenas:2001:NIT,
author = "J. F. Arenas and J. I. Marcos and J. C. Otero and I.
L. Toc{\'o}n and J. Soto",
title = "Nitrenes as intermediates in the thermal decomposition
of aliphatic azides",
journal = j-IJQC,
volume = "84",
number = "2",
pages = "241--248",
month = "????",
year = "2001",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.1326",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Wed Jul 25 09:32:27 MDT 2001",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc2000.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience
