Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 8
Results: 12
Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 958, doi. 10.1002/jcc.540110808
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Partial charges by multipole constraint. Application to the amino acids.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 978, doi. 10.1002/jcc.540110810
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On the use of AM1 and MNDO wave functions to compute accurate electrostatic charges.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 909, doi. 10.1002/jcc.540110803
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Molecular mechanics parameterization: Bond lengths and angles for nitrogen and phosphorus containing compounds.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 952, doi. 10.1002/jcc.540110807
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- Article
Combinatorial models and algorithms in chemistry. The expanded Wiener number-a novel topological index.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 899, doi. 10.1002/jcc.540110802
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- Article
ARGOS, a vectorized general molecular dynamics program.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 943, doi. 10.1002/jcc.540110806
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Masthead.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. fmi, doi. 10.1002/jcc.540110801
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- Article
Hydration of superoxide studied by molecular dynamics simulation.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 1003, doi. 10.1002/jcc.540110812
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The effect of diffuse functions on minimal basis set superposition errors for H-bonded dimers.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 930, doi. 10.1002/jcc.540110805
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- Article
Concise, open-ended implementation of Rys polynomial evaluation of two-Electron integrals.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 972, doi. 10.1002/jcc.540110809
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- Article
Free energy perturbation calculations on models of active sites: Applications to adenosine deaminase inhibitors.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 994, doi. 10.1002/jcc.540110811
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- Article
Electronic structure and photoelectron spectra of Sb<sub>2</sub> and Sb<sub>4</sub> from local-spin-density calculations. Model potential for Sb.
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- Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 924, doi. 10.1002/jcc.540110804
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- Article