Masthead.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 7, p. fmi, doi. 10.1002/jcc.540100701
- Publication type:
- Article
Works matching IS 01928651 AND DT 1989 AND VI 10 AND IP 7
Results: 14
1
2
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
- By:
- Publication type:
- Article
3
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
- By:
- Publication type:
- Article
4
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
- By:
- Publication type:
- Article
5
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
- By:
- Publication type:
- Article
6
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
- By:
- Publication type:
- Article
7
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
- By:
- Publication type:
- Article
8
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
- By:
- Publication type:
- Article
9
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
- By:
- Publication type:
- Article
10
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
- By:
- Publication type:
- Article
11
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
- By:
- Publication type:
- Article
12
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
- By:
- Publication type:
- Article
13
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
- By:
- Publication type:
- Article
14
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
- By:
- Publication type:
- Article