High order integration schemes on the unit sphere.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1152, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1152::AID-JCC7>3.0.CO;2-R
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- Article
Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 9
Results: 11
1
2
A comparison of a direct search method and a genetic algorithm for conformational searching.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1142, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1142::AID-JCC6>3.0.CO;2-S
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3
Spherical symmetric diffusion problem.
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- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1085, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1085::AID-JCC1>3.0.CO;2-O
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4
Models for the description of the H<sub>3</sub>O<sup>+</sup> and OH<sup>−</sup> ions in water.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1099, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1099::AID-JCC2>3.0.CO;2-N
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5
Masthead.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. fmi, doi. 10.1002/jcc.540170901
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- Article
6
Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1112, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V
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7
New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1132, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1132::AID-JCC5>3.0.CO;2-T
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- Article
8
Ab initio study of cyclic siloxanes (H<sub>2</sub>SiO)<sub> n</sub>: n = 3, 4, 5.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1163, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1163::AID-JCC9>3.0.CO;2-Q
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9
Constant-NTμ simulations: Free energy difference method for excess adsorption.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1156, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1156::AID-JCC8>3.0.CO;2-R
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10
Conformational searching methods for small molecules. III. Study of stochastic methods available in SYBYL and MACROMODEL.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1171, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1171::AID-JCC10>3.0.CO;2-A
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11
Electron transfer integral between two zero-overlap states.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 9, p. 1108, doi. 10.1002/(SICI)1096-987X(19960715)17:9<1108::AID-JCC3>3.0.CO;2-W
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- Article