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Publication search results
found 125 matches
- 1995
- Joep Aerts:
An Improved Molecular Modeling Method for the Prediction of Enantioselectivity. J. Comput. Chem. 16(7): 914-922 (1995) - Bjørn K. Alsberg:
Fast, Fuzzy C-Means Clustering of Data Sets with Many Features. J. Comput. Chem. 16(4): 414-421 (1995) - Takashi Amisaki, Takaji Fujiwara, Akihiro Kusumi, Hiroo Miyagawa, Kunihiro Kitamura:
Error Evaluation in the Disign of a Special-Purpose Processor That Calculates Nonbonded Forces in Molecular Dynamics Simulations. J. Comput. Chem. 16(9): 1120-1130 (1995) - Eric Barth, Krzysztof Kuczera, Benedict J. Leimkuhler, Robert D. Skeel:
Algorithms for Constrained Molecular Dynamics. J. Comput. Chem. 16(10): 1192-1209 (1995) - H. Behnejad, A. Maghari, M. Najafi:
The Extended Law of Corresponding States and the Intermolecular Potentials for Je-He and Ne-Ne. J. Comput. Chem. 16(4): 441-444 (1995) - Henk Bekker, H. J. C. Berendesen, Wilfred F. van Gunsteren:
Force and Cirial of Torsional-Angle-Dependent Potentials. J. Comput. Chem. 16(5): 527-533 (1995) - Dan N. Bernardo, Yanbo Ding, Karsten Krogh-Jespersen, Ronald M. Levy:
Evaluating Polarizable Potentials on Distributed Memory Parallel Computers: Program Development and Applications. J. Comput. Chem. 16(9): 1141-1152 (1995) - Ranganathan Bharadwaj, Andreas Windemuth, S. Sriharan, Barry Honig, Antony Nocholls:
A Fast Multipole Boundary Element Method for Molecular Electrostatics: An Optimal Approach for Large Systems. J. Comput. Chem. 16(7): 898-913 (1995) - Friedrich Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer:
Theoretical Investigation of the Relative Stabilites of XSSX and X2SS Isomers (X=F, C1, H, and CH3. J. Comput. Chem. 16(4): 465-477 (1995) - Josep Maria Bofill, Mónica Comajuan:
Analysis of the Updated Hessian Matrices for Locating Transition Strucutres. J. Comput. Chem. 16(11): 1326-1338 (1995) - Hans-Joachim Böhm, Stefan Brode:
Ab Initio SCF Calculations on Low-Energy Conformers of Cyclohexaglycine. J. Comput. Chem. 16(2): 146-153 (1995) - Bernard R. Brooks, Dusanka Janezic, Martin Karplus:
Harmonic Analysis of Large Systems. I. Methodology. J. Comput. Chem. 16(12): 1522-1542 (1995) - R. Bursi, M. Lankhorst, D. Feil:
Uncoupled Hartree-Fock Calculations of the Polarizability and Hyperpolarizabilities of Nitrophenols. J. Comput. Chem. 16(5): 545-562 (1995) - Roberto Cammi, Jacopo Tomasi:
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. J. Comput. Chem. 16(12): 1449-1458 (1995) - Frederico F. Campos, John S. Rollett:
The Exponents Method for Calculating Equilibrium Concentrations of Complex Species in Solution. J. Comput. Chem. 16(5): 534-544 (1995) - Juan C. Cesco, Claudia C. Denner, Ana E. Rosso, Jorge E. Pérez, F. S. Ortiz, Rubén H. Contreras, C. G. Giribet, M. C. Ruiz de Azúa:
Numerical Evaluation of Three- and Four- Center Bielectronic Integrals Using Exponential- Type Atomic Orbitals. J. Comput. Chem. 16(12): 1507-1512 (1995) - P. C. Chen:
The Molecular Structures and the Absorption Maxima of the H-Chromophores of t he Indigoid Dyes. J. Comput. Chem. 16(8): 945-950 (1995) - D. B. Chesnut:
A Comparative Quatnum Mechanical Study of Bond Separation Energies as a Measure of Cyclic Conjugation. J. Comput. Chem. 16(10): 1227-1237 (1995) - Piotr Cieplak, Wendy D. Cornell, Christopher I. Bayly, Peter A. Kollman:
Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins. J. Comput. Chem. 16(11): 1357-1376 (1995) - Kevin P. Clark:
Flexible Ligand Docking without Parameter Adjustment across Four Ligand-Receptor Complexes. J. Comput. Chem. 16(10): 1210-1226 (1995) - Alexander A. Cohen, Shimon E. Schatzmiller:
Localization and Quantitative Evaluation of Potent Local Binding Sites on the Accessible Lennard-Jones Surface. J. Comput. Chem. 16(12): 1459-1467 (1995) - Elena Laura Coitiño, Jacopo Tomasi, Roberto Cammi:
On the Evaluation of the Solvent Polarization Apparent Charges in the Polarizable Contnuum Model: A New Formulation. J. Comput. Chem. 16(1): 20-30 (1995) - Gordon M. Crippen:
Intervals and the Deduction of Drug Binding Site Models. J. Comput. Chem. 16(4): 486-500 (1995) - Mounzer Dagher, Mounif Kobersi, Hafez Kobeissi:
The True Diatomic Potential as a Perturbed Morse Function. J. Comput. Chem. 16(6): 723-728 (1995) - Manuel Dauchez, Philippe Derreumaux, Philippe Lagenat, Gérard Vergoten:
A Vibrational Molecular Force Field of Model Compounds with Biological Interest. IV. Parameters for the Different Glycosidic Linkages of Oligoaccharides. J. Comput. Chem. 16(2): 188-199 (1995) - Jan L. M. Dillen:
An Empirical Force Field I. Alkanes. J. Comput. Chem. 16(5): 595-609 (1995) - Jan L. M. Dillen:
An Empirical Force Field II. Crystalline Alkanes. J. Comput. Chem. 16(5): 610-619 (1995) - U. Dinur, Arnold T. Hagler:
Geomerty-Dependent Atomic Charges: Methodology and Application to Alkanes, Aldehydes, Ketones, and Amides. J. Comput. Chem. 16(2): 154-170 (1995) - Michael J. Dudek, Jay W. Ponder:
Accurate Modeling of the Intramolecular Electrostaric Energy of Proteins. J. Comput. Chem. 16(7): 791-816 (1995) - Frank Eisenhaber, Philip Lijnzaad, Patrick Argos, Chris Sander, Michael Scharf:
The Double Cubic Lattice Method: Efficient Approaches to Numerical Integration of Surface Area and Volume and to Dot Surface Contouring of Molecular Assemblies. J. Comput. Chem. 16(3): 273-284 (1995)
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retrieved on 2024-06-03 19:49 CEST from data curated by the dblp team
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