Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 8
Results: 11
An improved description of the molecular charge density in force fields with atomic multipole moments.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 937, doi. 10.1002/jcc.540160803
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- Article
Ab initio molecular orbital studies of nonidentity allyl transfer reactions.
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- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1045, doi. 10.1002/jcc.540160811
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- Article
The molecular structures and the absorption maxima of the H-chromophores of the indigoid dyes.
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- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 945, doi. 10.1002/jcc.540160804
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- Article
Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. IV. Application to hypervalent sulfur- and phosphorus-containing molecules.
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- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1011, doi. 10.1002/jcc.540160808
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- Article
A rapid method for calculating derivatives of solvent accessible surface areas of molecules.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1038, doi. 10.1002/jcc.540160810
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- Article
A comprehensive study of the rotational energy profiles of organic systems by ab initio MO theory, forming a basis for peptide torsional parameters.
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- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 984, doi. 10.1002/jcc.540160807
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- Article
A new optimization technique for artificial neural networks applied to prediction of force constants of large molecules.
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- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 923, doi. 10.1002/jcc.540160802
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- Article
Conformational analysis of jet-cooled tryptophan analogs and Histamine using the MM3(94) force field: Comparison with experiment.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 973, doi. 10.1002/jcc.540160806
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- Article
An empirical boundary potential for water droplet simulations.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 951, doi. 10.1002/jcc.540160805
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- Article
Electrostatic bonding models: A test on group 1 and 2 metal complexes with H<sub>2</sub>O, NH<sub>3</sub>, H<sub>2</sub>S, PH<sub>3</sub>, and related ligands.
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- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1027, doi. 10.1002/jcc.540160809
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- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 8, p. fmi, doi. 10.1002/jcc.540160801
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- Article