Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 1
Results: 16
Supplementary d and f functions in molecular wave functions at large and small internuclear separations.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 67, doi. 10.1002/jcc.540140111
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An electron repulsion integral compression algorithm.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 8, doi. 10.1002/jcc.540140104
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- Article
Molecular conformations from distance matrices.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 114, doi. 10.1002/jcc.540140115
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MNDO parameters for helium: Optimization, tests, and application to endohedral fullerene-helium complexes.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 37, doi. 10.1002/jcc.540140108
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- Article
Supplementary d and f functions in molecular wave functions: Optimum and nonoptimum exponents.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 54, doi. 10.1002/jcc.540140110
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- Article
Rotational barrier in phosphatriafulvene: An MCSCF study.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 3, doi. 10.1002/jcc.540140103
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Multigrid solution of the Poisson-Boltzmann equation.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 105, doi. 10.1002/jcc.540140114
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- Article
Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 30, doi. 10.1002/jcc.540140107
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Editorial.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 1, doi. 10.1002/jcc.540140102
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Ability of the PM3 quantum-mechanical method to model intermolecular hydrogen bonding between neutral molecules.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 89, doi. 10.1002/jcc.540140113
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- Article
Off-lattice Monte Carlo method with constraints: Long-time dynamics of a protein model without nonbonded interactions.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 19, doi. 10.1002/jcc.540140106
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- Article
Masthead.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. fmi, doi. 10.1002/jcc.540140101
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- Article
Comparison of computational methods applied to oxazole, thiazole, and other heterocyclic compounds.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 75, doi. 10.1002/jcc.540140112
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- Article
Vectorizable algorithm for green function and many-body perturbation methods.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 13, doi. 10.1002/jcc.540140105
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- Article
Benzene is not very rigid.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 121, doi. 10.1002/jcc.540140116
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- Article
Force field for platinum binding to adenine.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 45, doi. 10.1002/jcc.540140109
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- Article