Validation of the general purpose tripos 5.2 force field.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. 982, doi. 10.1002/jcc.540100804
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1989 AND VI 10 AND IP 8
Results: 8
1
2
A molecular mechanics analysis of molecular recognition by cyclodextrin mimics of α-chymotrypsin.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. 1038, doi. 10.1002/jcc.540100808
- By:
- Publication type:
- Article
3
The dynamics of gallamine: A potent neuromuscular blocker. A determination by quantum mechanics and molecular dynamics (i) in vacuo studies.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. 975, doi. 10.1002/jcc.540100803
- By:
- Publication type:
- Article
4
A concept of charge and valence for ab initio wave functions.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. 965, doi. 10.1002/jcc.540100802
- By:
- Publication type:
- Article
5
Orbital electronegativity and analytical representation of atom valence state energy.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. 1016, doi. 10.1002/jcc.540100806
- By:
- Publication type:
- Article
6
Masthead.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. fmi, doi. 10.1002/jcc.540100801
- Publication type:
- Article
7
Bivariate interpolation for experimental designs.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. 1013, doi. 10.1002/jcc.540100805
- By:
- Publication type:
- Article
8
A theoretical study of solvation energies of FCH<sub>2</sub>COO<sup>−</sup>, FCH<sub>2</sub>COOH, and F<sub>2</sub>CHCOO<sup>−</sup>.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 8, p. 1031, doi. 10.1002/jcc.540100807
- By:
- Publication type:
- Article