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@article{DBLP:journals/candc/BatanaAG91,
author = {Alicia Batana and
Celia Finazzi De Andrade and
In{\'{e}}s Gomez},
title = {Gr{\"{u}}neisen Parameters of a Hexagonal Close-packed Lattice},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {179--183},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80001-3},
doi = {10.1016/0097-8485(91)80001-3},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BatanaAG91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BatanaB91,
author = {Alicia Batana and
Jorge A. O. Bruno},
title = {Calculation of the Effective Charge of Crystals and Its Volume Dependence},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {225--233},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80006-8},
doi = {10.1016/0097-8485(91)80006-8},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BatanaB91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BaumerSS91,
author = {Luca Baumer and
Giordano Sala and
Guido Sello},
title = {Ring Perception in Organic Structures: a New Algorithm for Finding
{SSSR}},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {293--299},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80046-O},
doi = {10.1016/0097-8485(91)80046-O},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BaumerSS91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BerruetaFV91,
author = {Luis Angel Berrueta and
Luis Angel Fernandez and
Forn{\'{e}}s Vicente},
title = {Fluorim: a Computer Program for the Automated Data Collection and
Treatment Using Commercial Spectrofluorimeters},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {307--312},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80048-Q},
doi = {10.1016/0097-8485(91)80048-Q},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BerruetaFV91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BhattacharjeeRD91,
author = {S. Bhattacharjee and
A. S. Rao and
Purnendu K. Dasgupta},
title = {A New Index for Molecular Property Correlation in Halomethanes},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {319--322},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80050-V},
doi = {10.1016/0097-8485(91)80050-V},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BhattacharjeeRD91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Cioslowski91,
author = {Jerzy Cioslowski},
title = {Large Order Perturbation Theory and Summation Methods in Quantum Mechanics:
By G. A. Arteca, F. M. Fern{\'{a}}ndez and E. A. Castro. Springer,
New York; 1990. {ISBN} 0-387-52847-4. 638pp},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {238--239},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80010-J},
doi = {10.1016/0097-8485(91)80010-J},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Cioslowski91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Clark91,
author = {Terry W. Clark},
title = {Methods in Computational Chemistry, Vol. 3, Concurrent Computations
in Chemical Calculations: Edited By Stephen Wilsos. Plenum Press,
New York; 1989. {ISBN} 0-306-43315-X, 237Pp},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {237--238},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80008-A},
doi = {10.1016/0097-8485(91)80008-A},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Clark91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Connolly91,
author = {Michael L. Connolly},
title = {Molecular Interstitial Skeleton},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {37--45},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80022-E},
doi = {10.1016/0097-8485(91)80022-E},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Connolly91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/CooperP91,
author = {W. F. Cooper and
Wiley Lyle Parker},
title = {An Inexpensive Personal Computer Based Photon Counter},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {333--336},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80052-N},
doi = {10.1016/0097-8485(91)80052-N},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/CooperP91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/DeTar91,
author = {DeLos F. DeTar},
title = {PCs for Chemists: Edited By J. Zupan. Elsevier, Amsterdam, 1990, {ISBN}
0-444-88623-0; 290pp},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {238},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80009-B},
doi = {10.1016/0097-8485(91)80009-B},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/DeTar91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/DenglerU91,
author = {Alf Dengler and
Ivar Ugi},
title = {A Central Atom Based Algorithm and Computer Program for Substructure
Search},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {103--107},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80033-I},
doi = {10.1016/0097-8485(91)80033-I},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/DenglerU91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Dessy91,
author = {Raymod E. Dessy},
title = {Scientific Computing and Automation (Europe) 1990: Edited By {E.J.}
Karjalainen. Elsevier, Amsterdam, the Netherlands {(1990).} {ISBN}
0-444-88949-3, 488Pp},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {353},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80057-S},
doi = {10.1016/0097-8485(91)80057-S},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Dessy91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Dessy91a,
author = {Raymod E. Dessy},
title = {An Introduction to Laboratory Automation: By Victor Cerda and Guillermo
Ramis. Wiley Interscience, New York {(1990).} {ISBN} 0-471-61818-7,
306pp},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {353--354},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80058-T},
doi = {10.1016/0097-8485(91)80058-T},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Dessy91a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/DomotorB91,
author = {Gyula D{\"{o}}m{\"{o}}t{\"{o}}r and
Mikl{\'{o}}s I. B{\'{a}}n},
title = {Program for Orientating Crystal Surfaces},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {91--92},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80029-L},
doi = {10.1016/0097-8485(91)80029-L},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/DomotorB91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/FaustoT91,
author = {Rui Fausto and
Jos{\'{e}} Joaquim C. Teixeira{-}Dias},
title = {{NBI:} {A} Fortran Program for Molecular Mechanics Calculations on
a Microcomputer},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {175--177},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80044-M},
doi = {10.1016/0097-8485(91)80044-M},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/FaustoT91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/FigueraLMR91,
author = {Juan M. de la Figuera and
J. Luque and
V. Menendez and
J. C. Rodriguez},
title = {An Algorithm for the Determination of the Vibrational Energy Distribution
in "hot" Molecules. Description and Test},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {323--332},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80051-M},
doi = {10.1016/0097-8485(91)80051-M},
timestamp = {Thu, 04 Nov 2021 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/FigueraLMR91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/FourestDHBRLL91,
author = {Blandine Fourest and
Fran{\c{c}}ois David and
E. Haltier and
Nicole Borome and
Alphonse Richard and
Daniel Lecouturier and
G{\'{e}}rard Lalu},
title = {A Rapid Scanning Spectrophotometer: Applications to Some Spectroelectrochemical
Experiments},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {207--214},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80004-6},
doi = {10.1016/0097-8485(91)80004-6},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/FourestDHBRLL91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/GadreBS91,
author = {Shridhar R. Gadre and
Sangeeta Bapat and
Indira Shrivastava},
title = {Computation of Molecular Electrostatic Potential: an Efficient Algorithm
and Parallelization},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {203--206},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80003-5},
doi = {10.1016/0097-8485(91)80003-5},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/GadreBS91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/GawowskiFJN91,
author = {Janusz Gawlowski and
Krzysztof Franaszczuk and
Miroslaw Jaskiewicz and
Jan Niedzielski},
title = {Modernization of the MX-1321Mass-spectrometer: a New Information System
for {GC/MS} Analysis},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {109--113},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80034-J},
doi = {10.1016/0097-8485(91)80034-J},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/GawowskiFJN91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/GellerLSM91,
author = {Maciej Geller and
A. Lazkowski and
Stanley M. Swanson and
Edgar F. Meyer Jr.},
title = {Dynamical Analysis of the Conformation of the Active Site of Porcine
Pancreatic Elastase in Native and Michaelis Complex States. Molecular
Dynamics Simulations},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {261--272},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80015-E},
doi = {10.1016/0097-8485(91)80015-E},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/GellerLSM91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Guerrero-RuizOG91,
author = {Gabriela Guerrero{-}Ruiz and
Arturo Ocadiz{-}Ram{\'{\i}}rez and
Ram{\'{o}}n Gardu{\~{n}}o{-}Ju{\'{a}}rez},
title = {{ESFERA:} {A} Program for Exact Calculation of the Volume and Surface
Area of Fused Hard-sphere Molecules with Unequal Atomic Radii},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {351--352},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80056-R},
doi = {10.1016/0097-8485(91)80056-R},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Guerrero-RuizOG91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/HaldnaGE91,
author = {{\"{U}}lo Haldna and
Marina Grebenkova and
Arkadi Ebber},
title = {A New Approach to the Analysis of the {UV} Absorption Spectra of Ketones
in Aqueous Sulfuric Acid},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {99--102},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80032-H},
doi = {10.1016/0097-8485(91)80032-H},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/HaldnaGE91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/HirotaSKA91,
author = {Minoru Hirota and
Kazuhisa Sakakibara and
Tamiki Komatsuzaki and
Ikuo Akai},
title = {A New Steric Substituent Constant {S} Based on Molecular Mechanics
Calculations},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {241--248},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80012-B},
doi = {10.1016/0097-8485(91)80012-B},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/HirotaSKA91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/HumbertRBC91,
author = {Fiorino Humbert and
Alain Retournard and
Jean Brondeau and
Daniel Canet},
title = {Fast Bidirectional {NMR} Data Transfer Between the Bruker Aspect 3000and
a Personal Computer},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {301--305},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80047-P},
doi = {10.1016/0097-8485(91)80047-P},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/HumbertRBC91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Ing91,
author = {Roy T. Ing},
title = {Molly - {A} Language for Typesetting Molecular Structure Diagrams},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {185--201},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80002-4},
doi = {10.1016/0097-8485(91)80002-4},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Ing91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LabanowskiMD91,
author = {Jan K. Labanowski and
Ioan Motoc and
Richard A. Dammkoehler},
title = {The Physical Meaning of Topological Indices},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {47--53},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80023-F},
doi = {10.1016/0097-8485(91)80023-F},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LabanowskiMD91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LagoK91,
author = {Claudimir Lucio do Lago and
Concetta Kascheres},
title = {New Method of Isotope Pattern Analysis},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {149--155},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80040-S},
doi = {10.1016/0097-8485(91)80040-S},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LagoK91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LeeL91,
author = {S. C. Lee and
Soo{-}Y. Lee},
title = {A Rapid Method for Determining Excited State Surface Parameters and
Bond Length in Diatomic Molecules and Calculating Wavefunctions for
Franck-Condon Factors Using the Quantum Momentum Method},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {215--223},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80005-7},
doi = {10.1016/0097-8485(91)80005-7},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LeeL91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LeherteADV91,
author = {Laurence Leherte and
Jean{-}Marie Andr{\'{e}} and
Eric G. Derouane and
Daniel P. Vercauteren},
title = {Study of the Water Behavior into a Ferrierite Zeolite by Molecular
Dynamics Simulations},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {273--285},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80016-F},
doi = {10.1016/0097-8485(91)80016-F},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LeherteADV91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Lejtovicz91,
author = {J{\'{a}}nos Lejtovicz},
title = {A Computer Program for the Deficiency Zero and Deficiency One Theorems},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {143--147},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80039-O},
doi = {10.1016/0097-8485(91)80039-O},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Lejtovicz91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LinertMN91,
author = {Wolfgang Linert and
Peter Margl and
Ernst Nusterer},
title = {The Use of Enhanced Operator-machine Interfaces in Computer Aided
Molecular Design},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {1--10},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80018-H},
doi = {10.1016/0097-8485(91)80018-H},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LinertMN91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LisyCD91,
author = {J{\'{a}}n Mikul{\'{a}}s Lis{\'{y}} and
A. Cholvadov{\'{a}} and
B. Drobn{\'{a}}},
title = {Least Squares Analysis - Propagation of Random Errors and Newton-Raphson
Iterative Formula},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {127--134},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80037-M},
doi = {10.1016/0097-8485(91)80037-M},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LisyCD91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LisyCD91a,
author = {J{\'{a}}n Mikul{\'{a}}s Lis{\'{y}} and
A. Cholvadov{\'{a}} and
B. Drobn{\'{a}}},
title = {Polynomial (linear in Parameters) Least Squares Analysis When All
Experimental Data Are Subject to Random Errors},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {135--141},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80038-N},
doi = {10.1016/0097-8485(91)80038-N},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LisyCD91a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LueckWM91,
author = {Horst Lueck and
Maurice W. Windsor and
Ralf Menzel},
title = {Fully-automated Excited State Measurements with Enhanced Dynamic Range
By Interfacing a Quantel Laser YG501and an Optical Multichannel Analyzer
{PAR} 1205B to an {IBM} {PC/XT}},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {161--168},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80042-K},
doi = {10.1016/0097-8485(91)80042-K},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LueckWM91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Lykos91,
author = {Peter Lykos},
title = {Expert System Applications in Chemistry: {ACS} Symposium Series 408:
Edited By {B.A.} Hohne and {T.H.} Pierce. American Chemical Society,
Washington, D.C.; 1989. {ISBN} 0-8412-1681-9, 248Pp.+ Xi Contents
and Preface + 8pp},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {95--98},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80031-G},
doi = {10.1016/0097-8485(91)80031-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Lykos91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Mazurkiewicz-LazowskaP91,
author = {Hanna Mazurkiewicz{-}Lazowska and
Piotr Paneth},
title = {Numerical Evaluation of the Time-dependence of Concentrations, Rates
and Kinetic Isotope Effects},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {347--349},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80055-Q},
doi = {10.1016/0097-8485(91)80055-Q},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Mazurkiewicz-LazowskaP91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Mellado91,
author = {Jos{\'{e}} Miguel Rodr{\'{\i}}guez Mellado},
title = {A Convolution Algorithm for Linear-sweep Voltammetric Data At Unequally
Spaced Times},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {235--236},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80007-9},
doi = {10.1016/0097-8485(91)80007-9},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Mellado91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Mirkin91,
author = {Michael V. Mirkin},
title = {Computer Modeling 3-D Nucleation and Growth},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {169--174},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80043-L},
doi = {10.1016/0097-8485(91)80043-L},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Mirkin91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/MirkinN91,
author = {Michael V. Mirkin and
A. P. Nilov},
title = {Modification of the Huber Method for Solving Integral Equations on
a Non-uniform Grid},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {55--58},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80024-G},
doi = {10.1016/0097-8485(91)80024-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/MirkinN91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/MitchellM91,
author = {Michael J. Mitchell and
James Andrew McCammon},
title = {Vector Optimization of Amber 3.0On the {NEC} SX-2/400Supercomputer},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {79--85},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80027-J},
doi = {10.1016/0097-8485(91)80027-J},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/MitchellM91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/MullerSC91,
author = {C. Muller and
G{\'{e}}rard Scacchi and
Guy{-}Marie C{\^{o}}me},
title = {A Topological Method for Determining the External Symmetry Number
of Molecules},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {17--27},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80020-M},
doi = {10.1016/0097-8485(91)80020-M},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/MullerSC91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/MullerSC91a,
author = {C. Muller and
G{\'{e}}rard Scacchi and
Guy{-}Marie C{\^{o}}me},
title = {A Compiler for a Linear Chemical Notation},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {337--342},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80053-O},
doi = {10.1016/0097-8485(91)80053-O},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/MullerSC91a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Ogilvie91,
author = {John F. Ogilvie},
title = {General Linear Regression Analysis - Application to the Electric Dipole-moment
Function of HCl},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {59--72},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80025-H},
doi = {10.1016/0097-8485(91)80025-H},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Ogilvie91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/OmsFCGR91,
author = {M. T. Oms and
R. Forteza and
V{\'{\i}}ctor Cerd{\`{a}} and
F. Garc{\'{\i}}a{-}S{\'{a}}nchez and
Ana Luisa Ramos},
title = {Fluoropack: {A} Program Package for Automatic Fluorimetric Measurements},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {87--90},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80028-K},
doi = {10.1016/0097-8485(91)80028-K},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/OmsFCGR91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/PalmoPK91,
author = {Kim Palm{\"{o}} and
Lars{-}Olof Pietil{\"{a}} and
Samuel Krimm},
title = {Conversion of Ab-initio Force Fields and Structures to Molecular Mechanics
Energy Functions},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {249--250},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80013-C},
doi = {10.1016/0097-8485(91)80013-C},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/PalmoPK91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Pulfer91,
author = {Jim D. Pulfer},
title = {Numerical Modelling of the Action of Acetolactate Synthase Isozyme
{II} Using Simplex Optimization},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {287--292},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80017-G},
doi = {10.1016/0097-8485(91)80017-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Pulfer91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/RasoTA91,
author = {Miguel A. Raso and
Jos{\'{e}} Tortajada and
Fernando Acci{\'{o}}n},
title = {A General Fitting Program for Resolution of Complex Profiles - {II.}
Automatic Baseline Correction},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {29--35},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80021-D},
doi = {10.1016/0097-8485(91)80021-D},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/RasoTA91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Schlick91,
author = {Tamar Schlick},
title = {New Approaches to Potential Energy Minimization and Molecular Dynamics
Algorithms},
journal = {Comput. Chem.},
volume = {15},
number = {3},
pages = {251--260},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80014-D},
doi = {10.1016/0097-8485(91)80014-D},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Schlick91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Senn91,
author = {Peter Senn},
title = {Determination of the Position of an Atom in Space from Three Interatomic
Distances},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {93--94},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80030-P},
doi = {10.1016/0097-8485(91)80030-P},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Senn91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Senn91a,
author = {Peter Senn},
title = {Accurate and Efficient Computation of -functions with Complex Arguments},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {343--345},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80054-P},
doi = {10.1016/0097-8485(91)80054-P},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Senn91a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/SipplS91,
author = {Manfred J. Sippl and
Hans Stegbuchner},
title = {Superposition of Three-dimensional Objects: {A} Fast and Numerically
Stable Algorithm for the Calculation of the Matrix of Optimal Rotation},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {73--78},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80026-I},
doi = {10.1016/0097-8485(91)80026-I},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/SipplS91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/SuryanarayanaCM91,
author = {Lalitha Suryanarayana and
G. V. R. Chandramouli and
Periyakarupan T. Manoharan},
title = {Calculation of Charges from Photoelectron Spectra},
journal = {Comput. Chem.},
volume = {15},
number = {1},
pages = {11--15},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80019-I},
doi = {10.1016/0097-8485(91)80019-I},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/SuryanarayanaCM91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/TupperCG91,
author = {Kenneth J. Tupper and
Richard W. Counts and
Joseph J. Gajewski},
title = {Geometry Optimization Within a Modified Extended H{\"{u}}ckel
Formalism: Modifications to the {ASED} Program},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {157--160},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80041-J},
doi = {10.1016/0097-8485(91)80041-J},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/TupperCG91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/VerwoerdN91,
author = {Wynand S. Verwoerd and
V. Nolting},
title = {An Improved Molecular Orbital Localization Scheme},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {115--119},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80035-K},
doi = {10.1016/0097-8485(91)80035-K},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/VerwoerdN91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/WestrenenKC91,
author = {Jeroen Van Westrenen and
Peter L. Khizhnyak and
Gregory R. Choppin},
title = {Speciation of Complexes By Lotus 1-2-3},
journal = {Comput. Chem.},
volume = {15},
number = {2},
pages = {121--125},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80036-L},
doi = {10.1016/0097-8485(91)80036-L},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/WestrenenKC91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/XiongZZ91,
author = {Xiang Xiong and
Yu{-}Zhen Zhu and
Xin Zhou},
title = {A Simple Microcomputer-controlled Instrumental System for Kinetic
Analyses and Determinations},
journal = {Comput. Chem.},
volume = {15},
number = {4},
pages = {313--317},
year = {1991},
url = {https://doi.org/10.1016/0097-8485(91)80049-R},
doi = {10.1016/0097-8485(91)80049-R},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/XiongZZ91.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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