Works matching IS 01928651 AND DT 1991 AND VI 12 AND IP 10
Results: 17
Masthead.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. fmi, doi. 10.1002/jcc.540121001
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- Article
The graph isomorphism problem.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1243, doi. 10.1002/jcc.540121012
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Toward accurate transferable electrostatic models for polypeptides: A distributed multipole study of blocked amino acid residue charge distributions.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1187, doi. 10.1002/jcc.540121005
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Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared-memory computers.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1270, doi. 10.1002/jcc.540121016
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The application of symbolic computing to chemical kinetic reaction schemes.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1223, doi. 10.1002/jcc.540121009
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- Article
A fully three-dimensional finite element method calculation for the vibrational levels of H<sub>2</sub>O and D<sub>2</sub>O.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1237, doi. 10.1002/jcc.540121011
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- Article
Predicting partition coefficients for isomeric diastereoisomers of some tripeptide analogs.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1182, doi. 10.1002/jcc.540121004
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- Article
Sixty-atom carbon cages.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1265, doi. 10.1002/jcc.540121015
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Analytic Löwdin alpha-function method for two-center electron-repulsion integrals over slater-type orbitals.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1217, doi. 10.1002/jcc.540121008
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- Article
On the use of electrostatic potential derived charges in molecular mechanics force fields. The relative solvation free energy of cis- and trans- N-methyl-acetamide.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1232, doi. 10.1002/jcc.540121010
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Approximate STO functions for the first-row transition metal atoms.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1172, doi. 10.1002/jcc.540121003
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Many-body conjugated-circuit computations.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1260, doi. 10.1002/jcc.540121014
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Unimolecular rearrangements of ethylnitrene: An exploratory theoretical study.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1211, doi. 10.1002/jcc.540121007
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- Article
A Monte Carlo simulation of free energy relationships for the electron transfer reaction between Fe<sup>+</sup> and Fe<sup>2+</sup> in water.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1165, doi. 10.1002/jcc.540121002
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Generation of carbon-cage polyhedra.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1252, doi. 10.1002/jcc.540121013
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Variable atomic radii based on some approximate configurational invariance and transferability properties of the electron density.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1198, doi. 10.1002/jcc.540121006
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- Publication type:
- Article
Reactivity of biologically important reduced pyridines. VIII. A semiempirical (AM1) study of the oxidation of 3-substituted-1-methyl-1,4-dihydropyridines.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1278, doi. 10.1002/jcc.540121017
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- Article