Parallel algorithm for the computation of characteristic polynomials of chemical graphs.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 779, doi. 10.1002/jcc.540120702
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1991 AND VI 12 AND IP 7
Results: 18
1
2
A molecular mechanics study of conformational trends in simple alcohols and ethers. Part I: Geometric trends.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 872, doi. 10.1002/jcc.540120713
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- Publication type:
- Article
3
Self-consistent, nonorthogonal group function approximation. III. Approaches for modeling intermolecular interactions.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 811, doi. 10.1002/jcc.540120706
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- Publication type:
- Article
4
Free energy calculations on calcium and magnesium complexes: Protein and phospholipid model systems.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 899, doi. 10.1002/jcc.540120717
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- Publication type:
- Article
5
Masthead.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. fmi, doi. 10.1002/jcc.540120701
- Publication type:
- Article
6
Principal component analysis of dipole moment derivative signs of chloroform.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 885, doi. 10.1002/jcc.540120715
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- Publication type:
- Article
7
A vectorized algorithm for calculating the accessible surface area of macromolecules.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 868, doi. 10.1002/jcc.540120712
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- Publication type:
- Article
8
Determination of molecular topology and atomic hybridization states from heavy atom coordinates.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 891, doi. 10.1002/jcc.540120716
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- Publication type:
- Article
9
Development of an internal searching algorithm for parameterization of the MM2/MM3 force fields.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 844, doi. 10.1002/jcc.540120709
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- Publication type:
- Article
10
A semiempirical theoretical study of the molecular interaction of cocaine with the biological substrate glycine.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 862, doi. 10.1002/jcc.540120711
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- Publication type:
- Article
11
The half-projected Hartree-Fock model for computing thermally 'forbidden' pericyclic reactions.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 792, doi. 10.1002/jcc.540120704
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- Publication type:
- Article
12
An alternative self-interaction correction in the generalized exchange local-density functional theory.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 803, doi. 10.1002/jcc.540120705
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- Publication type:
- Article
13
Conformational energies and rotational barriers in 3-methyl-1-butene and 1-butene: An ab initio and molecular mechanics study.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 839, doi. 10.1002/jcc.540120708
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- Publication type:
- Article
14
A molecular orbital study of amiloride.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 850, doi. 10.1002/jcc.540120710
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- Publication type:
- Article
15
Dispersion and repulsion contributions to the solvation energy: Refinements to a simple computational model in the continuum approximation.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 784, doi. 10.1002/jcc.540120703
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- Publication type:
- Article
16
Conformational studies of 2-methylbutyronitrile and 3-methyl-1-pentyne by vibrational spectroscopy and molecular mechanics.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 880, doi. 10.1002/jcc.540120714
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- Publication type:
- Article
17
MM2 study on the conformation of N-acetyl- L-amino acid N′-methylamides with aliphatic side chain and their N<sup>α</sup>-methyl derivatives.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 829, doi. 10.1002/jcc.540120707
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- Publication type:
- Article
18
Dielectric boundary smoothing in finite difference solutions of the poisson equation: An approach to improve accuracy and convergence.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 7, p. 909, doi. 10.1002/jcc.540120718
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- Publication type:
- Article