Masthead.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. fmi, doi. 10.1002/jcc.540110401
- Publication type:
- Article
Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 4
Results: 14
1
2
Molecular modeling studies of novel heteroarotinoids.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 531, doi. 10.1002/jcc.540110412
- By:
- Publication type:
- Article
3
Macromodel-an integrated software system for modeling organic and bioorganic molecules using molecular mechanics.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 440, doi. 10.1002/jcc.540110405
- By:
- Publication type:
- Article
4
Free energy calculation of a soft sphere solid using an adaptive, importance sampling Monte Carlo algorithm.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 511, doi. 10.1002/jcc.540110409
- By:
- Publication type:
- Article
5
Theoretical studies on the alkaline hydrolysis of N-Methylcarbamates.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 524, doi. 10.1002/jcc.540110411
- By:
- Publication type:
- Article
6
Atomic charges derived from semiempirical methods.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 431, doi. 10.1002/jcc.540110404
- By:
- Publication type:
- Article
7
A structural approach to calculate physical properties of pure organic substances: The critical temperature, critical volume and related properties.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 493, doi. 10.1002/jcc.540110408
- By:
- Publication type:
- Article
8
Extended basis sets for the transition metals yttrium through cadmium.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 518, doi. 10.1002/jcc.540110410
- By:
- Publication type:
- Article
9
Comparative study of the molecular electrostatic potential obtained from different wavefunctions. Reliability of the semiempirical MNDO wavefunction.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 416, doi. 10.1002/jcc.540110403
- By:
- Publication type:
- Article
10
Reply to 'Comments on a comparison of AM1 with the recently developed PM3 method'.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 543, doi. 10.1002/jcc.540110414
- By:
- Publication type:
- Article
11
Dynamics of peptides with fixed geometry: Kinetic energy terms and potential energy derivatives as functions of dihedral angles.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 487, doi. 10.1002/jcc.540110407
- By:
- Publication type:
- Article
12
MM2' calculations on methylenecyclohexane, methylenecyclopentane, and cyclopentane. Pitfalls in the two-bond drive technique: How large should the ring be?
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 411, doi. 10.1002/jcc.540110402
- By:
- Publication type:
- Article
13
Comments on a comparison of AM1 with the recently developed PM3 method.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 541, doi. 10.1002/jcc.540110413
- By:
- Publication type:
- Article
14
Variable step molecular dynamics: An exploratory technique for peptides with fixed geometry.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 468, doi. 10.1002/jcc.540110406
- By:
- Publication type:
- Article