Masthead.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. fmi, doi. 10.1002/jcc.540140901
- Publication type:
- Article
Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 9
Results: 13
1
2
Stiffness and energy conservation in molecular dynamics: An improved integrator.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1112, doi. 10.1002/jcc.540140912
- By:
- Publication type:
- Article
3
New method for the derivation of net atomic charges from the electrostatic potential.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1036, doi. 10.1002/jcc.540140905
- By:
- Publication type:
- Article
4
New combining rules for rare gas van der waals parameters.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1077, doi. 10.1002/jcc.540140909
- By:
- Publication type:
- Article
5
New approach to the rapid semiempirical calculation of molecular electrostatic potentials based on the am1 wave function: Comparison with ab initio hf/6-31g* results.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1101, doi. 10.1002/jcc.540140911
- By:
- Publication type:
- Article
6
Ab initio study of hydrogen bonding in the phenol-water system.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1027, doi. 10.1002/jcc.540140904
- By:
- Publication type:
- Article
7
Characterization of force fields for lipid molecules: Applications to crystal structures.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1066, doi. 10.1002/jcc.540140908
- By:
- Publication type:
- Article
8
Techniques for geometry optimization: A comparison of cartesian and natural internal coordinates.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1085, doi. 10.1002/jcc.540140910
- By:
- Publication type:
- Article
9
Assessment of methods used for predicting lipophilicity: Application to nucleosides and nucleoside bases.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1019, doi. 10.1002/jcc.540140903
- By:
- Publication type:
- Article
10
Conformational searching methods for small molecules. I. Study of the sybyl search method.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1050, doi. 10.1002/jcc.540140907
- By:
- Publication type:
- Article
11
AQUARIUS2: Knowledge-based modeling of solvent sites around proteins.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1007, doi. 10.1002/jcc.540140902
- By:
- Publication type:
- Article
12
Announcement.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1123, doi. 10.1002/jcc.540140913
- Publication type:
- Article
13
Quantification of substituent and ligand size by the use of solid angles.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 9, p. 1042, doi. 10.1002/jcc.540140906
- By:
- Publication type:
- Article