An application of the Miertus-Scrocco-Tomasi solvation model in molecular mechanics and dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 1, doi. 10.1002/jcc.540160102
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 1
Results: 13
1
2
Decomposition analyses of the intermolecular interaction energies in two π-π stacking complexes: Quinhydrone and N, N, N′, N′-tetramethyl- p-diaminobenzene-chloranil complex.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 131, doi. 10.1002/jcc.540160113
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- Publication type:
- Article
3
Force field parameters for sulfates and sulfamates based on ab initio calculations: Extensions of AMBER and CHARMm fields.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 56, doi. 10.1002/jcc.540160106
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- Publication type:
- Article
4
Masthead.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. fmi, doi. 10.1002/jcc.540160101
- Publication type:
- Article
5
Principal component analysis of dipeptides.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 130, doi. 10.1002/jcc.540160112
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- Publication type:
- Article
6
Implementation of reaction field methods in quantum chemistry computer codes.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 37, doi. 10.1002/jcc.540160105
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- Publication type:
- Article
7
On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: A new formulation.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 20, doi. 10.1002/jcc.540160103
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- Publication type:
- Article
8
Announcement.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 129, doi. 10.1002/jcc.540160111
- Publication type:
- Article
9
Propella[3<sub>4</sub>] prismane and its congeners: A MO-theoretical study.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 31, doi. 10.1002/jcc.540160104
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- Publication type:
- Article
10
Implementation of a parallel direct SCF algorithm on distributed memory computers.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 91, doi. 10.1002/jcc.540160108
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- Publication type:
- Article
11
An examination of a density functional/molecular mechanical coupled potential.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 113, doi. 10.1002/jcc.540160110
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- Publication type:
- Article
12
Path integral molecular dynamics methods: Application to neon.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 105, doi. 10.1002/jcc.540160109
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- Publication type:
- Article
13
Geometric molecular similarity from volume-based distance minimization: Application to saxitoxin and tetrodotoxin.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 1, p. 80, doi. 10.1002/jcc.540160107
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- Publication type:
- Article