Masthead.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. fmi, doi. 10.1002/jcc.540140601
- Publication type:
- Article
Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 6
Results: 17
1
2
Sprouting side chain conformations in X-PLOR simulations of peptides.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 715, doi. 10.1002/jcc.540140612
- By:
- Publication type:
- Article
3
Molecular mechanics calculations (MM3) on sulfones.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 655, doi. 10.1002/jcc.540140605
- By:
- Publication type:
- Article
4
Calculation of hydrophobic interactions from molecular dynamics, surface areas, and experimental hydrocarbon solubilities.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 741, doi. 10.1002/jcc.540140616
- By:
- Publication type:
- Article
5
Relative basicities of carboxylate lone pairs in aqueous solution.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 685, doi. 10.1002/jcc.540140609
- By:
- Publication type:
- Article
6
Theoretical study of 'protonated pyruvate': A methylhydroxycarbene-carbon dioxide complex-implications for the decarboxylation of pyruvic acid.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 699, doi. 10.1002/jcc.540140611
- By:
- Publication type:
- Article
7
Are most of the stationary points in a molecular association minima? Application of Fraga's potential to benzene-benzene.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 647, doi. 10.1002/jcc.540140604
- By:
- Publication type:
- Article
8
Comparison of the boys and Pipek-Mezey localizations in the local correlation approach and automatic virtual basis selection.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 736, doi. 10.1002/jcc.540140615
- By:
- Publication type:
- Article
9
Madelung fields from optimized point charges for ab initio cluster model calculations on ionic systems.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 680, doi. 10.1002/jcc.540140608
- By:
- Publication type:
- Article
10
Torsional flexing: Conformational searching of cyclic molecules in biased internal coordinate space.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 691, doi. 10.1002/jcc.540140610
- By:
- Publication type:
- Article
11
Treatment of hydrogen bonding in SINDO1.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 639, doi. 10.1002/jcc.540140603
- By:
- Publication type:
- Article
12
Path integral theory: An improved simulation for the forces in semiclassic systems.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 728, doi. 10.1002/jcc.540140614
- By:
- Publication type:
- Article
13
Techniques for the compression of sequences of integer numbers and real numbers with fixed absolute precision.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 673, doi. 10.1002/jcc.540140607
- By:
- Publication type:
- Article
14
Ab initio copper-water interaction potential for the simulation of aqueous solutions.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 629, doi. 10.1002/jcc.540140602
- By:
- Publication type:
- Article
15
Global measure of molecular flexibility and shape fluctuations about conformational minima.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 718, doi. 10.1002/jcc.540140613
- By:
- Publication type:
- Article
16
Model calculations for small closed-ring CdS clusters and chemisorption processes by a quantum chemical cluster approach.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 667, doi. 10.1002/jcc.540140606
- By:
- Publication type:
- Article
17
Chiral force constants: Recommendations for the presentation of internal coordinate force constants.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 6, p. 751, doi. 10.1002/jcc.540140617
- By:
- Publication type:
- Article