Works matching IS 01928651 AND DT 1989 AND VI 10 AND IP 7
Results: 14
Masthead.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. fmi, doi. 10.1002/jcc.540100701
- Publication type:
- Article
Computational strategies for the optimization of equilibrium geometries and transition-state structures at the semiempirical level.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 939, doi. 10.1002/jcc.540100712
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- Publication type:
- Article
Long-Range proton-proton coupling constants. I. Propanic coupling involving a methyl group <sup>4</sup> J<sub>MeH</sub>.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 887, doi. 10.1002/jcc.540100705
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- Publication type:
- Article
Calculations of a list of neighbors in Molecular Dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 921, doi. 10.1002/jcc.540100709
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- Publication type:
- Article
Characters for symmetric and antisymmetric higher powers of representations: Application to the number of anharmonic force constants in symmetrical molecules.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 935, doi. 10.1002/jcc.540100711
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- Publication type:
- Article
Combined bond-polarization basis sets for accurate determination of dissociation energies. II. Basis set superposition error as a function of the parent basis set.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 875, doi. 10.1002/jcc.540100704
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- Publication type:
- Article
Molecular mechanics of peroxides. II. Cyclic compounds.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 911, doi. 10.1002/jcc.540100708
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- Publication type:
- Article
Coupled cluster method with first-order correlation orbitals versus multireference configuration interaction method. Accurate calculations for HF, H<sub>2</sub>O, and NH<sub>3</sub>.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 928, doi. 10.1002/jcc.540100710
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- Publication type:
- Article
Improved algorithm for the calculation of one-electron two-center integrals with STOs.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 869, doi. 10.1002/jcc.540100703
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- Publication type:
- Article
Molecular symmetry and ab initio calculations. I. Symmetry-matrix and symmetry-supermatrix.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 957, doi. 10.1002/jcc.540100714
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- Publication type:
- Article
Molecular mechanics conformational analysis of cyclononane using the RIPS method and comparison with quantum-mechanical calculations.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 903, doi. 10.1002/jcc.540100707
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- Publication type:
- Article
Steric effects on reaction rates. XI. Solvolysis of tertiary carbon substrates rationalized by molecular mechanics calculations.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 863, doi. 10.1002/jcc.540100702
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- Publication type:
- Article
A recipe for evaluating and differentiating cos ϕ expressions.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 951, doi. 10.1002/jcc.540100713
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- Publication type:
- Article
Linearized embedding: A new metric matrix algorithm for calculating molecular conformations subject to geometric constraints.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. 896, doi. 10.1002/jcc.540100706
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- Publication type:
- Article