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@article{DBLP:journals/jcc/Aerts95,
author = {Joep Aerts},
title = {An Improved Molecular Modeling Method for the Prediction of Enantioselectivity},
journal = {J. Comput. Chem.},
volume = {16},
number = {7},
pages = {914--922},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160708},
doi = {10.1002/JCC.540160708},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Aerts95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Alsberg95,
author = {Bj{\o}rn K. Alsberg},
title = {Fast, Fuzzy C-Means Clustering of Data Sets with Many Features},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {414--421},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160404},
doi = {10.1002/JCC.540160404},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Alsberg95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/AmisakiFKMK95,
author = {Takashi Amisaki and
Takaji Fujiwara and
Akihiro Kusumi and
Hiroo Miyagawa and
Kunihiro Kitamura},
title = {Error Evaluation in the Disign of a Special-Purpose Processor That
Calculates Nonbonded Forces in Molecular Dynamics Simulations},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1120--1130},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160906},
doi = {10.1002/JCC.540160906},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/AmisakiFKMK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BarthKLS95,
author = {Eric Barth and
Krzysztof Kuczera and
Benedict J. Leimkuhler and
Robert D. Skeel},
title = {Algorithms for Constrained Molecular Dynamics},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1192--1209},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161003},
doi = {10.1002/JCC.540161003},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BarthKLS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BehnejadMN95,
author = {H. Behnejad and
A. Maghari and
M. Najafi},
title = {The Extended Law of Corresponding States and the Intermolecular Potentials
for Je-He and Ne-Ne},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {441--444},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160406},
doi = {10.1002/JCC.540160406},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BehnejadMN95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BekkerBG95,
author = {Henk Bekker and
H. J. C. Berendesen and
Wilfred F. van Gunsteren},
title = {Force and Cirial of Torsional-Angle-Dependent Potentials},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {527--533},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160502},
doi = {10.1002/JCC.540160502},
timestamp = {Wed, 20 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BekkerBG95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BernardoDKL95,
author = {Dan N. Bernardo and
Yanbo Ding and
Karsten Krogh{-}Jespersen and
Ronald M. Levy},
title = {Evaluating Polarizable Potentials on Distributed Memory Parallel Computers:
Program Development and Applications},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1141--1152},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160908},
doi = {10.1002/JCC.540160908},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BernardoDKL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BharadwajWSHN95,
author = {Ranganathan Bharadwaj and
Andreas Windemuth and
S. Sriharan and
Barry Honig and
Antony Nocholls},
title = {A Fast Multipole Boundary Element Method for Molecular Electrostatics:
An Optimal Approach for Large Systems},
journal = {J. Comput. Chem.},
volume = {16},
number = {7},
pages = {898--913},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160707},
doi = {10.1002/JCC.540160707},
timestamp = {Tue, 07 May 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BharadwajWSHN95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BickelhauptSS95,
author = {Friedrich Matthias Bickelhaupt and
Miquel Sol{\`{a}} and
Paul von Ragu{\'{e}} Schleyer},
title = {Theoretical Investigation of the Relative Stabilites of {XSSX} and
X\({}_{\mbox{2}}\)SS Isomers (X=F, C1, H, and CH\({}_{\mbox{3}}\)},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {465--477},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160410},
doi = {10.1002/JCC.540160410},
timestamp = {Tue, 07 May 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BickelhauptSS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BofillC95,
author = {Josep Maria Bofill and
M{\'{o}}nica Comajuan},
title = {Analysis of the Updated Hessian Matrices for Locating Transition Strucutres},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1326--1338},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161103},
doi = {10.1002/JCC.540161103},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BofillC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BohmB95,
author = {Hans{-}Joachim B{\"{o}}hm and
Stefan Brode},
title = {Ab Initio {SCF} Calculations on Low-Energy Conformers of Cyclohexaglycine},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {146--153},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160203},
doi = {10.1002/JCC.540160203},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BohmB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BrooksJK95,
author = {Bernard R. Brooks and
Dusanka Janezic and
Martin Karplus},
title = {Harmonic Analysis of Large Systems. I. Methodology},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1522--1542},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161209},
doi = {10.1002/JCC.540161209},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BrooksJK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BursiLF95,
author = {R. Bursi and
M. Lankhorst and
D. Feil},
title = {Uncoupled Hartree-Fock Calculations of the Polarizability and Hyperpolarizabilities
of Nitrophenols},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {545--562},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160504},
doi = {10.1002/JCC.540160504},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BursiLF95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/CammiT95,
author = {Roberto Cammi and
Jacopo Tomasi},
title = {Remarks on the Use of the Apparent Surface Charges /ASC) Methods in
Solvation Problems: Iterative versus Matrix-Inversion Procedures and
the Renormalization of the Apparent Charges},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1449--1458},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161202},
doi = {10.1002/JCC.540161202},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/CammiT95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/CamposR95,
author = {Frederico F. Campos and
John S. Rollett},
title = {The Exponents Method for Calculating Equilibrium Concentrations of
Complex Species in Solution},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {534--544},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160503},
doi = {10.1002/JCC.540160503},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/CamposR95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/CescoDRPCGA95,
author = {Juan C. Cesco and
Claudia C. Denner and
Ana E. Rosso and
Jorge E. P{\'{e}}rez and
F. S. Ortiz and
Rub{\'{e}}n H. Contreras and
C. G. Giribet and
M. C. Ruiz de Az{\'{u}}a},
title = {Numerical Evaluation of Three- and Four- Center Bielectronic Integrals
Using Exponential- Type Atomic Orbitals},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1507--1512},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161207},
doi = {10.1002/JCC.540161207},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/CescoDRPCGA95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Chen95,
author = {P. C. Chen},
title = {The Molecular Structures and the Absorption Maxima of the H-Chromophores
of t he Indigoid Dyes},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {945--950},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160804},
doi = {10.1002/JCC.540160804},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Chen95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Chesnut95,
author = {D. B. Chesnut},
title = {A Comparative Quatnum Mechanical Study of Bond Separation Energies
as a Measure of Cyclic Conjugation},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1227--1237},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161005},
doi = {10.1002/JCC.540161005},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Chesnut95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/CieplakCBK95,
author = {Piotr Cieplak and
Wendy D. Cornell and
Christopher I. Bayly and
Peter A. Kollman},
title = {Application of the Multimolecule and Multiconformational {RESP} Methodology
to Biopolymers: Charge Derication for DNA, RNA, and Proteins},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1357--1376},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161106},
doi = {10.1002/JCC.540161106},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/CieplakCBK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ClarkA95,
author = {Kevin P. Clark},
title = {Flexible Ligand Docking without Parameter Adjustment across Four Ligand-Receptor
Complexes},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1210--1226},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161004},
doi = {10.1002/JCC.540161004},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ClarkA95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/CohenS95,
author = {Alexander A. Cohen and
Shimon E. Schatzmiller},
title = {Localization and Quantitative Evaluation of Potent Local Binding Sites
on the Accessible Lennard-Jones Surface},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1459--1467},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161203},
doi = {10.1002/JCC.540161203},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/CohenS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/CoitinoTC95,
author = {Elena Laura Coiti{\~{n}}o and
Jacopo Tomasi and
Roberto Cammi},
title = {On the Evaluation of the Solvent Polarization Apparent Charges in
the Polarizable Contnuum Model: {A} New Formulation},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {20--30},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160103},
doi = {10.1002/JCC.540160103},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/CoitinoTC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Crippen95,
author = {Gordon M. Crippen},
title = {Intervals and the Deduction of Drug Binding Site Models},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {486--500},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160412},
doi = {10.1002/JCC.540160412},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Crippen95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/DagherKK95,
author = {Mounzer Dagher and
Mounif Kobersi and
Hafez Kobeissi},
title = {The True Diatomic Potential as a Perturbed Morse Function},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {723--728},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160608},
doi = {10.1002/JCC.540160608},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/DagherKK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/DauchezDLV95,
author = {Manuel Dauchez and
Philippe Derreumaux and
Philippe Lagenat and
G{\'{e}}rard Vergoten},
title = {A Vibrational Molecular Force Field of Model Compounds with Biological
Interest. {IV.} Parameters for the Different Glycosidic Linkages of
Oligoaccharides},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {188--199},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160206},
doi = {10.1002/JCC.540160206},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/DauchezDLV95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Dillen95,
author = {Jan L. M. Dillen},
title = {An Empirical Force Field I. Alkanes},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {595--609},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160508},
doi = {10.1002/JCC.540160508},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Dillen95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Dillen95a,
author = {Jan L. M. Dillen},
title = {An Empirical Force Field {II.} Crystalline Alkanes},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {610--619},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160509},
doi = {10.1002/JCC.540160509},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Dillen95a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/DinurH95,
author = {U. Dinur and
Arnold T. Hagler},
title = {Geomerty-Dependent Atomic Charges: Methodology and Application to
Alkanes, Aldehydes, Ketones, and Amides},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {154--170},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160204},
doi = {10.1002/JCC.540160204},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/DinurH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/DudekP95,
author = {Michael J. Dudek and
Jay W. Ponder},
title = {Accurate Modeling of the Intramolecular Electrostaric Energy of Proteins},
journal = {J. Comput. Chem.},
volume = {16},
number = {7},
pages = {791--816},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160702},
doi = {10.1002/JCC.540160702},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/DudekP95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/EisenhaberLASS95,
author = {Frank Eisenhaber and
Philip Lijnzaad and
Patrick Argos and
Chris Sander and
Michael Scharf},
title = {The Double Cubic Lattice Method: Efficient Approaches to Numerical
Integration of Surface Area and Volume and to Dot Surface Contouring
of Molecular Assemblies},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {273--284},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160303},
doi = {10.1002/JCC.540160303},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/EisenhaberLASS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/EngelsenPBP95,
author = {S{\o}ren Balling Engelsen and
Serge P{\'{e}}rez and
Isabelle Braccini and
Catherine Herv{\'{e}} du Penhoat},
title = {Internal Motions of Carbohydrates as PRobed by Comparative Molecular
Modeling and Nuclear Magnetic Resonance of Ethyl beta-Lactoside},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1096--1119},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160905},
doi = {10.1002/JCC.540160905},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/EngelsenPBP95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ErionR95,
author = {Mark D. Erion and
M. Rami Reddy},
title = {Calculation of Relative Free Energy Differrences for the Covalent
Hydration of Organic Compounds: {A} Combined Quantum Mechanical and
Free Energy Perturbation Study},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1513--1521},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161208},
doi = {10.1002/JCC.540161208},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ErionR95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/EssexJ95,
author = {Jonathan W. Essex and
William L. Jorgensen},
title = {An Empirical Boundary Potential for Water Droplet Simulations},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {951--972},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160805},
doi = {10.1002/JCC.540160805},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/EssexJ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Ferguson95,
author = {David M. Ferguson},
title = {Parameterization and Evaluation of a Flexible Water Model},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {501--511},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160413},
doi = {10.1002/JCC.540160413},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Ferguson95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/FischerPL95,
author = {Thomas H. Fischer and
Wesley P. Petersen and
Hans Peter L{\"{u}}thi},
title = {A New Optimization Technique for Artificial Neural Networks Applied
to Prediction of Force Constants of Large Molecules},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {923--936},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160802},
doi = {10.1002/JCC.540160802},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/FischerPL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/FurlaniK95,
author = {Thomas R. Furlani and
Harry F. King},
title = {Implemenation of a Parallel Direct {SCF} Algorithm on Distributed
Memory Computers},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {91--104},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160108},
doi = {10.1002/JCC.540160108},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/FurlaniK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/FurukiSI95,
author = {Takao Furuki and
Minoru Sakurai and
Yoshio Inoue},
title = {An Application of the Reaction Field Theory to Hydrated Metal Cations
in the Framework of the MNDO, AM1, and {OM3} Methods},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {378--384},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160311},
doi = {10.1002/JCC.540160311},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/FurukiSI95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GabbLP95,
author = {Henry A. Gabb and
Richard Lavery and
Chantal Pr{\'{e}}vost},
title = {Efficient Conformational Space Samling for Nucleosides Using Internal
Coordinat Monte Carlo Simulations and a Modified Furanose Description},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {667--680},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160603},
doi = {10.1002/JCC.540160603},
timestamp = {Wed, 19 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GabbLP95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GabdoullineZ95,
author = {Razif R. Gabdoulline and
Chong Zheng},
title = {Effects of the Cutoff Center on the MEan Potential and Pair Distribution
Functions in Liquid Water},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1428--1433},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161111},
doi = {10.1002/JCC.540161111},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GabdoullineZ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GerwensJ95,
author = {Heiko Gerwens and
Karl Jug},
title = {{SINDO1} Study of the Photoreaction of Tetramethylene Sulfone},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {405--413},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160403},
doi = {10.1002/JCC.540160403},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GerwensJ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GleiterPK95,
author = {Rolf Gleiter and
Karl{-}Heinz Pfeifer and
Wolfram Koch},
title = {Propella[3\({}_{\mbox{4}}\)] Prismane and Its Congeners: {A} MO-Theoretical
Study},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {31--36},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160104},
doi = {10.1002/JCC.540160104},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GleiterPK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GogoneaO95,
author = {Valentin Gogonea and
Eihi Osawa},
title = {An Improved Algorithm for the Analystical Computation of Solvent-Excluded
Volume. The Treatment of Singulatities in Solvent-Accessible Surface
Area and Volume Functions},
journal = {J. Comput. Chem.},
volume = {16},
number = {7},
pages = {817--842},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160703},
doi = {10.1002/JCC.540160703},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GogoneaO95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GolsonMM95,
author = {Micahel K. Golson and
James Andrew McCammon and
Jeffrey D. Madura},
title = {Molecular Dynamics Simulation with a Comtinuum Electrostatic Model
of the Solvent},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1081--1095},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160904},
doi = {10.1002/JCC.540160904},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GolsonMM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Gresh95,
author = {Nohad Gresh},
title = {Energetics of Zn\({}^{\mbox{2+}}\) Binding to a Series of Biologically
Relecant Ligands: {A} Molecular Mechanics Investigation Grounded on
Ab Initio Self-Consistent Field Supermolecular Computations},
journal = {J. Comput. Chem.},
volume = {16},
number = {7},
pages = {856--882},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160705},
doi = {10.1002/JCC.540160705},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Gresh95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GreshSK95,
author = {Nohad Gresh and
Walter J. Stewens and
Morris Krauss},
title = {Mono- and Poly- Ligated Complexes of Zn\({}^{\mbox{2+}}\): An Ab Initio
Analysis of the Metal-Ligand Interaction Energy},
journal = {J. Comput. Chem.},
volume = {16},
number = {7},
pages = {843--855},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160704},
doi = {10.1002/JCC.540160704},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GreshSK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GuarnieriW95,
author = {Frank Guarnieri and
Stephen R. Wilson},
title = {Conformational Memories and a Simulated Annealing Program That Learns:
Application to LTB\({}_{\mbox{4}}\)},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {648--653},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160512},
doi = {10.1002/JCC.540160512},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GuarnieriW95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HabibollahzadehGCMP95,
author = {Dariush Habibollahzadeh and
M. Edward Grice and
Monica C. Concha and
Jane S. Murray and
Peter Politzer},
title = {Nonlocal Density Functional Calculation of Gas Phase Heats of Formation},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {654--658},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160513},
doi = {10.1002/JCC.540160513},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/HabibollahzadehGCMP95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HerrmannS95,
author = {Frank Herrmann and
S{\'{a}}ndor Suhai},
title = {Energy Minimization of Peptide Ananlogues Using Genetic Algorithms},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1434--1445},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161112},
doi = {10.1002/JCC.540161112},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/HerrmannS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HertwigK95,
author = {Roland H. Hertwig and
Wolfram Koch},
title = {On the Accuracy of Density Functionals and Theiro Basis Set Dependence:
An Extensive Study on the Main Group Homonuclear Diatomic Molecules
Li\({}_{\mbox{2}}\) to Br\({}_{\mbox{2}}\)},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {576--585},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160506},
doi = {10.1002/JCC.540160506},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/HertwigK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HobzaSR95,
author = {Pavel Hobza and
Jir{\'{\i}} Sponer and
Tomas Reschel},
title = {Density Functional Theory and Moleculer Clusters},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1315--1325},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161102},
doi = {10.1002/JCC.540161102},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/HobzaSR95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HolstS95,
author = {Michael J. Holst and
Faisal Saied},
title = {Numerical Solution of t he Nonlinear Poisson-Blotzmann Equation: Developing
More Robust and Efficient Methods},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {337--364},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160308},
doi = {10.1002/JCC.540160308},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/HolstS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HowardCK95,
author = {Allison E. Howard and
Piotr Cieplak and
Peter A. Kollman},
title = {A Molecular Mechanical Model That Reproduces the Relative Energies
for Chair and Twist-Boat Conformations of 1, 3-Dioxanes},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {243--262},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160211},
doi = {10.1002/JCC.540160211},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/HowardCK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HuigeA95,
author = {Cornelis J. M. Huige and
Cornelis Altona},
title = {Force Field Parameters for Sulfates and Sulfamates Based on Ab Initio
Calculations: Extensions of {AMBER} and CHARMm Fields},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {56--79},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160106},
doi = {10.1002/JCC.540160106},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/HuigeA95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/JanezicK95,
author = {Dusanka Janezic and
Martin Karplus},
title = {Harmonic Analysis of Large Systems. {II.} Comaprison of Different
Protein Models},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1543--1553},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161210},
doi = {10.1002/JCC.540161210},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/JanezicK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/JanezicVK95,
author = {Dusanka Janezic and
Richard M. Venable and
Martin Karplus},
title = {Harmonic Analysis of Large Systems. {III.} Comparison with Molecular
Dynamics},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1554--1568},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161211},
doi = {10.1002/JCC.540161211},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/JanezicVK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/JudsonTMMJTM95,
author = {Richard S. Judson and
Y. T. Tan and
E. Mori and
C. Melius and
Edward P. Jaeger and
Adi M. Treasurywala and
Alan M. Mathiowetz},
title = {Docking Flexible Molecules: {A} Case Study of Three Proteins},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1405--1419},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161109},
doi = {10.1002/JCC.540161109},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/JudsonTMMJTM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Khan95,
author = {Lawrence M. Pratt and
Ishrat M. Khan},
title = {A Density Functional Treatment of Organolithium Compounds: Comparison
to Ab Initio, Semiempirical, and Epreimental Results},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1067--1080},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160903},
doi = {10.1002/JCC.540160903},
timestamp = {Mon, 17 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Khan95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/KocaPI95,
author = {Jaroslav Koca and
Serge P{\'{e}}rez and
Anne Imberty},
title = {Conformational Analysis and Flexibility of Carbohydrates Using the
{CICADA} Approach with {MM3}},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {296--310},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160305},
doi = {10.1002/JCC.540160305},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/KocaPI95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/KochE95,
author = {Uwe Koch and
Ernst Egent},
title = {An Improbed Description of the Molecular Charge Density in Force Fields
with Atomic Multipole Moments},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {937--944},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160803},
doi = {10.1002/JCC.540160803},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/KochE95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/KumarRBSK95,
author = {Shankar Kumar and
John M. Rosenberg and
Djamal Bouzida and
Robert H. Swendsen and
Peter A. Kollman},
title = {Multidimensional Free-Energy Calculations Using the Weighted Histogram
Analysis Method},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1339--1350},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161104},
doi = {10.1002/JCC.540161104},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/KumarRBSK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LeachK95,
author = {Andrew R. Leach and
Teri E. Klein},
title = {A Molecualr Dynamics Study of the Inhibition of Chicken Dihydrofolate
Reductase by a Phenyl Triazine},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1378--1393},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161107},
doi = {10.1002/JCC.540161107},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LeachK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LeeKL95,
author = {Ikchoon Lee and
Chang Kon Kim and
Bon{-}Su Lee},
title = {Ab Initio Orbital Studies of Nonidentity Allyl Transfer Reactions},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {1045--1054},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160811},
doi = {10.1002/JCC.540160811},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LeeKL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiWNS95,
author = {Y. S. Li and
M. C. Wrinn and
John M. Newsam and
Mark P. Sears},
title = {Parallel Implementation of a Mesh-Based Density Functional Electronic
Structure Code},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {226--234},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160209},
doi = {10.1002/JCC.540160209},
timestamp = {Sat, 20 Apr 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiWNS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiangYHESH95,
author = {Congxin Liang and
Liqun Yan and
J{\"{o}}rg{-}R{\"{u}}diger Hill and
Carl S. Ewig and
Terry R. Stouch and
Arnold T. Hagler},
title = {Force Field Studies of Cholesterol and Chelesteryl Acetate Crystals
and Cholesterol-Cholesterol Intermolecular Interactions},
journal = {J. Comput. Chem.},
volume = {16},
number = {7},
pages = {883--897},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160706},
doi = {10.1002/JCC.540160706},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiangYHESH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiotardHLCT95,
author = {Daniel A. Liotard and
Gregory D. Hawkins and
Gillian C. Lynch and
Christopher J. Cramer and
Donald G. Truhlar},
title = {Improved Methods for Semiempirical Solvation Models},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {422--440},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160405},
doi = {10.1002/JCC.540160405},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiotardHLCT95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LipkowitzP95,
author = {Kenny B. Lipkowitz and
Michael A. Peterson},
title = {Evaluation of Moment Statistics for Molecular Modeling},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {285--295},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160304},
doi = {10.1002/JCC.540160304},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LipkowitzP95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Llamas-SaizFMJEE95,
author = {Antonio L. Llamas{-}Saiz and
Concepci{\'{o}}n Foces{-}Foces and
Otilia M{\'{o}} and
Manuel Y{\'{a}}{\~{n}}ez and
Eric Elguero and
Jos{\'{e}} Elguero},
title = {Geometry of Pyrazole: {A} Test for Ab Initio Calculations},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {163--272},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160302},
doi = {10.1002/JCC.540160302},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Llamas-SaizFMJEE95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Lopez95,
author = {Gustaveo E. Lop{\'{e}}z},
title = {The Electronic Strucure of Weakley Bound Systems. I. Rare-Gas Bimolecular
Cations},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {758--767},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160611},
doi = {10.1002/JCC.540160611},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Lopez95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Lopez95a,
author = {Gustaveo E. Lop{\'{e}}z},
title = {The Electronic Strucure of Weakley Bound Systems. {II.} NeX\({}^{\mbox{+}}\)
and ArX\({}^{\mbox{+}}\) (X=H\({}_{\mbox{2}}\)O, HCI, and {HF)} Bimolecular
Cations},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {768--776},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160612},
doi = {10.1002/JCC.540160612},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Lopez95a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LutyWSHZM95,
author = {Brock A. Luty and
Zelda R. Wasserman and
Pieter F. W. Stouten and
C. Nicholas Hodge and
Martin Zacharias and
James Andrew McCammon},
title = {A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor
Interactions},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {454--464},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160409},
doi = {10.1002/JCC.540160409},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcc/LutyWSHZM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Magnusson95,
author = {Eric Magnusson},
title = {Electrostatic Bonding Models: {A} Test on Group 1 and 2 Complexes
with H\({}_{\mbox{2}}\), NH\({}_{\mbox{3}}\), H\({}_{\mbox{2}}\)S,
Ph\({}_{\mbox{3}}\), and Related Liquids},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {1027--1038},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160809},
doi = {10.1002/JCC.540160809},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Magnusson95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MarquezD95,
author = {Antonio M. M{\'{a}}rquez and
Michel Dupuis},
title = {Parallel Computation of the {MP2} Energy on Distributed Memory Computers},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {395--404},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160402},
doi = {10.1002/JCC.540160402},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MarquezD95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MaserasM95,
author = {Feliu Maseras and
Keiji Morokuma},
title = {{IMOMM:} {A} New Integrated Ab Initio + Molecular Mechanics Geometry
Optimization Scheme of Equilibrium Structures and Transition States},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1170--1179},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160911},
doi = {10.1002/JCC.540160911},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MaserasM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MaxwellTJ95,
author = {David S. Maxwell and
Julian Tirado{-}Rives and
William L. Jorgensen},
title = {A Comprehensive Study of the Rotational Energy Profiles of Orgenic
Systems by Ab Initio {MO} Theory, Forming a Base for Pepetide Torsional
Parameters},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {984--1010},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160807},
doi = {10.1002/JCC.540160807},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MaxwellTJ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/McGaugheySB95,
author = {Georgia B. McGaughey and
Eugene L. Stewart and
J. Phillip Bowen},
title = {Ab Initio and Molecular Mechanics /MM2 and {MM3)} Calculations of
Nonconjugated Positively Charged Nitrogen-Containg Compounds},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1250--1260},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161007},
doi = {10.1002/JCC.540161007},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/McGaugheySB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MenendezSSS95,
author = {Mar{\'{\i}}a Isabel Men{\'{e}}ndez Rodr{\'{\i}}guez and
Dimas Su{\'{a}}rez and
Jos{\'{e}} A. Sordo and
Tom{\'{a}}s Luis Sordo},
title = {Theoretical Study of the Gas-Phase Addition of {HF} and {HCI} to Ethylene:
Analysis of the Catalytic Action of Dimeric Halides},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {659--666},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160602},
doi = {10.1002/JCC.540160602},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MenendezSSS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MestersS95,
author = {Jordi Mestres and
Gustavo E. Scuseria},
title = {Genetic Algorithms: {A} Robust Scheme for Geometry Optimizations and
Global Minimum Structure Problems},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {729--742},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160609},
doi = {10.1002/JCC.540160609},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MestersS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MoralesN95,
author = {Juan J. Morales and
Mar{\'{\i}}a J. Nuevo},
title = {Path Integral Molecular Dynamics Methods: Application to Neon},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {105--112},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160109},
doi = {10.1002/JCC.540160109},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MoralesN95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/NielsenS95,
author = {Ida M. B. Nielsen and
Edward T. Seidl},
title = {Parallel Direct Implementations of Second-Order Perturbation Theories},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1301--1314},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161011},
doi = {10.1002/JCC.540161011},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/NielsenS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/NorrbyWAM95,
author = {Per{-}Ola Norrby and
Kenneth W{\"{a}}rnmark and
Bj{\"{o}}rn {\^{A}}kermark and
Christina Moberg},
title = {Unusual Conformational-Determining Interactions in Oxymethylpyridines:
An Ab Initio Study and an Improved Method for Refining Molecular Mechanics
Parameters},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {620--627},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160510},
doi = {10.1002/JCC.540160510},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/NorrbyWAM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/OrozcoBL95,
author = {Modesto Orozco and
Margarida Bachs and
F. Javier Luque},
title = {Development of Optimized {MST/SCRF} Methods for Semiempirical Calculations:
The {MNDO} and {PM3} Hamilitonians},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {563--575},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160505},
doi = {10.1002/JCC.540160505},
timestamp = {Fri, 09 Apr 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/OrozcoBL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Pacios95,
author = {Luis Fern{\'{a}}ndez Pacios},
title = {Atomic Radii Scales and Electron Properties Deduced from the Charge
Density},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {133--145},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160202},
doi = {10.1002/JCC.540160202},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Pacios95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ParkKNJS95,
author = {Je Myung Park and
Oh Young Kwon and
Kyoung Tai No and
Mu Shik Jhon and
Harold A. Scheraga},
title = {Determination of Net Atomics Charges Using a Modified Partial Equalization
or Orbital Electronegativity Method. {IC.} Application to Hypervalent
Sulfur and Phosphorus-Containing Molecules},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {1011--1027},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160808},
doi = {10.1002/JCC.540160808},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ParkKNJS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/PepperSSGJQ95,
author = {Melanie J. M. Pepper and
Isaiah Shavitt and
Paul von Ragu{\'{e}} Schleyer and
Mikhail N. Glukhovtsev and
Rudolf Janoschek and
Martin Quack},
title = {Is the Stereomutation of Methane Possible?},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {207--225},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160208},
doi = {10.1002/JCC.540160208},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/PepperSSGJQ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/PeticolasR95,
author = {Warner L. Peticolas and
Thomas Rush III},
title = {Ab Initio Calculations of the Ultraviolet Resonance Raman Spectra
of Uracil},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1261--1270},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161008},
doi = {10.1002/JCC.540161008},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/PeticolasR95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Petitjean95,
author = {Michel Petitjean},
title = {Geometric Molecular Similarity from Volume-Based Distance Minimization
Application to Saxitoxin and Tetrodotoxin},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {80--90},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160107},
doi = {10.1002/JCC.540160107},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Petitjean95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/PurisimaN95,
author = {Enrico O. Purisima and
Shahul H. Nilar},
title = {A Samle Yet Accurate Boundary Element Method for Contituum Dielectric
Calculations},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {681--689},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160604},
doi = {10.1002/JCC.540160604},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/PurisimaN95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/RipollPGSL95,
author = {Daniel R. Ripoll and
Marcia S. Pottle and
Kenneth D. Gibson and
Harold A. Scheraga and
Adam Liwo},
title = {Implementation of the {ECEPP} Algorithm, the Monte Carlo Minimization
Method, and the Electrostatically Driven Monte Carlo Method on the
Kendall Square Research {KSR1} Computer},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1153--1163},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160909},
doi = {10.1002/JCC.540160909},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/RipollPGSL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/RitchieC95,
author = {James P. Ritchie and
Ann S. Compenhaver},
title = {Comparison of Potential-Derived Charge and Atomic Multipole Models
in Calculating Electrostatic Potentials and Energies of Some Muleic
Acid Bases and Pairs},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {777--790},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160613},
doi = {10.1002/JCC.540160613},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/RitchieC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/RousselL95,
author = {Marc R. Roussel and
Carmay Lim},
title = {Discrete, Dynamic Polymer Modelin: {A} Pseudo-Diatomic Model of Lignin},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1181--1191},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161002},
doi = {10.1002/JCC.540161002},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/RousselL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/RouxK95,
author = {Beno{\^{\i}}t Roux and
Martin Karplus},
title = {Potential Energy Function for Cation-Peptide Interactions: An Ab Initio
Study},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {690--704},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160605},
doi = {10.1002/JCC.540160605},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/RouxK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SeveranceEJ95,
author = {Daniel L. Severance and
Jonathan W. Essex and
William L. Jorgensen},
title = {Generalized Alteration of Structure and Parameters: {A} New Method
for Free- Energy Perturbations in Systems Containing Flexible Degrees
of Freedom},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {311--327},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160306},
doi = {10.1002/JCC.540160306},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SeveranceEJ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ShenQ95,
author = {Jian Shen and
Florante A. Quiocho},
title = {Calculation of Binding Energy Differences for Receptor-Ligand Systems
Using the Poisson-Boltzmann Method},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {445--448},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160407},
doi = {10.1002/JCC.540160407},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ShenQ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SizovaB95,
author = {O. V. Sizova and
Victor Ivanovich Baranovski},
title = {{INDO} Parameters for the Elements of the {I} and {II} Transition
Rows},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {586--594},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160507},
doi = {10.1002/JCC.540160507},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SizovaB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SmartS95,
author = {Bruce A. Smart and
Carl H. Schiesser},
title = {On the Existence of SH\({}_{\mbox{3}}\), and TeH\({}_{\mbox{3}}\):
Discrepanticies between All-Electron and Pseudopotential Calculations},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1055--1066},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160902},
doi = {10.1002/JCC.540160902},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SmartS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SmellieTT95,
author = {Andrew Smellie and
Steven L. Teig and
Peter Towbin},
title = {Poling: Promoting Conformational Variation},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {171--187},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160205},
doi = {10.1002/JCC.540160205},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SmellieTT95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SridharanNS95,
author = {S. Sridharan and
Antony Nicholls and
Kim A. Sharp},
title = {A Rapid Method for Calculating Derivatives of Solvent Accessible Surface
Areas of Molecules},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {1038--1044},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160810},
doi = {10.1002/JCC.540160810},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SridharanNS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/StAmantCKH95,
author = {Alain St.{-}Amant and
Wendy D. Cornell and
Peter A. Kollman and
Thomas A. Halgren},
title = {Calculation of Molecular Geometries, Relative Conformational Energies,
Dipole Moments, and Molecular Electrostatic Potential Fitted Charges
of Small Organic Molecules of Biochemical Interest by Density Function
Theory},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1483--1506},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161206},
doi = {10.1002/JCC.540161206},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/StAmantCKH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/StantonHM95,
author = {Robert V. Stanton and
David S. Hartsough and
Kenneth M. Merz Jr.},
title = {An Examination of a Density Functional/Molecular Mechanical Coupled
Potential},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {113--128},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160110},
doi = {10.1002/JCC.540160110},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/StantonHM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/StefanovC95,
author = {Boris R. Stefanov and
Jerzy Cieslowski},
title = {Ann Efficient Approach to Calculation of Zero-Flux Atimic Surfaces
and Generation of Atimic Intergration Data},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1394--1404},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161108},
doi = {10.1002/JCC.540161108},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/StefanovC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Sulkes95,
author = {Mark Sulkes},
title = {Conformational Analysis of Jet-Cooled Tryptohan Analogs and Histamine
Using the {MM3(94)} Force Field: Comparison with Experiment},
journal = {J. Comput. Chem.},
volume = {16},
number = {8},
pages = {973--983},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160806},
doi = {10.1002/JCC.540160806},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Sulkes95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SunK95,
author = {Yaxiong Sun and
Peter A. Kollman},
title = {Hydrophobic Solvation of Methane and Nonbond Parameters of the {TIP3P}
Water Model},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1164--1169},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160910},
doi = {10.1002/JCC.540160910},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SunK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SunadaG95,
author = {Shinji Sunada and
Nobuhiro Go},
title = {Small-Amplitude Protein Conformational Dynamics: Second Order Analytic
Relation between Cartesian Coordinates and Dijedral Angles},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {328--336},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160307},
doi = {10.1002/JCC.540160307},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SunadaG95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SvenssonJ95,
author = {Bo Svensson and
Bo J{\"{o}}nsson},
title = {An Efficient Simulation Technique for Electrostatic Free Energies
with Applications to Azurin},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {370--377},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160310},
doi = {10.1002/JCC.540160310},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SvenssonJ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SwansonL95,
author = {Eric Swanson and
Terry P. Lybrand},
title = {{PVM-AMBER:} {A} Parallel Implementation of the {AMBER} Molecular
Mechanics Package for Workstation Clusters},
journal = {J. Comput. Chem.},
volume = {16},
number = {9},
pages = {1131--1140},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160907},
doi = {10.1002/JCC.540160907},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SwansonL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/TagaM95,
author = {Tooru Taga and
Kazuhumi Masuda},
title = {Monte Carlo Study of Lipid Membranes: Simulation of Diparmitoyl-phosphatidylcholine
Bilayers in Gel and Liquid-Crystalline Phases},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {235--242},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160210},
doi = {10.1002/JCC.540160210},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/TagaM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/TongD95,
author = {Weida Tong and
Valerian T. D'Souza},
title = {The Role of the Carboxylate Ion in Models of Acyl-Chymotrypsin},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {705--714},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160606},
doi = {10.1002/JCC.540160606},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/TongD95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/TurnerWRVSS95,
author = {James Turner and
Paul Weiner and
Barry Robson and
Ravi Venugopal and
Harry Schubele III and
Ramen Singh},
title = {Reduced Variable Molecular Dynamics},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1271--1290},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161009},
doi = {10.1002/JCC.540161009},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/TurnerWRVSS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/VarnekWGF95,
author = {Alexandre Varnek and
Georges Wipff and
A. S. Glebov and
D. Feil},
title = {An Application of the Miertus-Scrocco-Tomasi Solvation Model in Molecular
Mechanics and Dynamics Simulations},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {1--19},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160102},
doi = {10.1002/JCC.540160102},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/VarnekWGF95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/VincentM95,
author = {James J. Vincent and
Kenneth M. Merz Jr.},
title = {A Highly Portable Parallel Implementation of {AMBER4} Using the Message
Passing Interface Standart},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1420--1427},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161110},
doi = {10.1002/JCC.540161110},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/VincentM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/VriesDJRDMT95,
author = {A. H. de Vries and
Piet Th. van Duijnen and
A. H. Juffer and
J. A. C. Rullmann and
J. P. Dijkmann and
H. Merenga and
B. Theo Thole},
title = {Implementation of Reaction Field Methods in Quantum Chemistry Computer
Codes},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {37--55},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160105},
doi = {10.1002/JCC.540160105},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/VriesDJRDMT95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WalkerM95,
author = {P. Duane Walker and
Paul G. Mezey},
title = {Toward Similarity Measures for Macromolecular Bodies: {MEDLA} Test
Calculations for Substituted Benzene Systems},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1238--1249},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161006},
doi = {10.1002/JCC.540161006},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/WalkerM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WalkerMMJP95,
author = {P. Duane Walker and
Paul G. Mezey and
Gerald M. Maggiora and
Mark A. Johnson and
James D. Petke},
title = {Application of the Shape Group Method to Conformation Processes: Shape
and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1474--1482},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161205},
doi = {10.1002/JCC.540161205},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/WalkerMMJP95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WillockPLC95,
author = {David J. Willock and
Sally L. Price and
Maurice Leslie and
C. Richard A. Catlow},
title = {The Relaxation of Molecular Crystal Structures Using a Distributed
Multipole Electrostatic Model},
journal = {J. Comput. Chem.},
volume = {16},
number = {5},
pages = {628--647},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160511},
doi = {10.1002/JCC.540160511},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/WillockPLC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WongH95,
author = {Adrian T. Wong and
Robert J. Harrison},
title = {Approaches to Large-Scale Parallel Self-Consisten Field Calculations},
journal = {J. Comput. Chem.},
volume = {16},
number = {10},
pages = {1291--1300},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161010},
doi = {10.1002/JCC.540161010},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/WongH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WongWF95,
author = {Ming Wah Wong and
Kenneth B. Wiberg and
Michael J. Frisch},
title = {Ab Initio Calculation of Molar Volumes: Compariso with Experiment
and Use in Solvation Models},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {365--394},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160312},
doi = {10.1002/JCC.540160312},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/WongWF95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/YooC95,
author = {Sung{-}Eun Yoo and
Ok Ja Cha},
title = {Prediction of {LUMO} Energy and Rate Constant by Comparative Molecular
Field Analysis(CoMFA)},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {449--453},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160408},
doi = {10.1002/JCC.540160408},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/YooC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/YoonSJ95,
author = {Jeong Hyeok Yoon and
Jae Kwang Shin and
Mu Shik Jhon},
title = {Determination of {C-} Terminal Structure of Human C-Ha-Ras Oncogenic
Protein},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {478--485},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160411},
doi = {10.1002/JCC.540160411},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/YoonSJ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/YouB95,
author = {Tony You and
Donald Bashford},
title = {An Analytical Algorithm for the Rapid Determination of the Solvent
Accessibility of Points in a Three-Dimensional Lattice around a Solute
Molecule},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {743--757},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160610},
doi = {10.1002/JCC.540160610},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/YouB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/YoungB95,
author = {William S. Young and
Charles L. Brooks III},
title = {Dynamic Load Balancing Algorithms for Replicated Data Molecular Dynamics},
journal = {J. Comput. Chem.},
volume = {16},
number = {6},
pages = {715--722},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160607},
doi = {10.1002/JCC.540160607},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/YoungB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ZhangS95,
author = {Mei{-}Qing Zhang and
Robert D. Skeel},
title = {Symplectic Integrators and the Conservation of Angular Momentum},
journal = {J. Comput. Chem.},
volume = {16},
number = {3},
pages = {365--369},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160309},
doi = {10.1002/JCC.540160309},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ZhangS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ZhexinFYY95,
author = {Xiang Zhexin and
Huang Fuhua and
Shi Yunyu and
Xu Yinwu},
title = {Incorporating the Protein-Dipole Langevin-Dipole Model into Tanford-Kirkwood
Theory},
journal = {J. Comput. Chem.},
volume = {16},
number = {12},
pages = {1468--1473},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161204},
doi = {10.1002/JCC.540161204},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ZhexinFYY95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ZhexinYY95,
author = {Xiang Zhexin and
Shi Yunyu and
Xu Yinwu},
title = {Solving the Finite-Difference, Nonlinear, Poisson-Boltzmann Equation
under a Linear Approach},
journal = {J. Comput. Chem.},
volume = {16},
number = {2},
pages = {200--206},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160207},
doi = {10.1002/JCC.540160207},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ZhexinYY95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ZhexinYY95a,
author = {Xiang Zhexin and
Shi Yunyu and
Xu Yingwu},
title = {Calculating the Electric Potential of Macromolecules: {A} Simple Method
for Molecular Surface Triangulation},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {512--516},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160414},
doi = {10.1002/JCC.540160414},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ZhexinYY95a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ZivkovicRKZT95,
author = {Tomislav P. Zivkovic and
Milan Randic and
Douglas J. Klein and
Hongyao Zhu and
Nenad Trinajstic},
title = {Analytical Approach to Very Large Benzenoid Polymers},
journal = {J. Comput. Chem.},
volume = {16},
number = {4},
pages = {517--526},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160415},
doi = {10.1002/JCC.540160415},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ZivkovicRKZT95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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