Works matching IS 01928651 AND DT 1989 AND VI 10 AND IP 5
Results: 15
Computational algorithms for matching polynomials of graphs from the characteristic polynomials of edge-weighted graphs.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 698, doi. 10.1002/jcc.540100511
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- Article
Evaluation of the dispersion contribution to the solvation energy. A simple computational model in the continuum approximation.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 616, doi. 10.1002/jcc.540100504
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Announcement.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 748, doi. 10.1002/jcc.540100515
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- Article
3 S- Versus 1 s-type Gaussian primitives: Modifications of the 3-21G(*) basis set for the sulfur atom.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 660, doi. 10.1002/jcc.540100508
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- Article
On the construction of the matching polynomial for unbranched catacondensed benzenoids.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 683, doi. 10.1002/jcc.540100510
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- Article
An ab initio molecular orbital study of the structures and energies of neutral and charged bimolecular complexes of NH<sub>3</sub> with the hydrides AH<sub> n</sub> (A = N, O, F, P, S, and Cl).
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 603, doi. 10.1002/jcc.540100503
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- Article
Methods for the Fourier-series expansion of torsional energies.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 733, doi. 10.1002/jcc.540100514
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- Article
Locally dense basis sets for chemical shift calculations.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 648, doi. 10.1002/jcc.540100507
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- Article
Theoretical studies in molecular recognition: Rebek's cleft.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 595, doi. 10.1002/jcc.540100502
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- Article
Theoretical studies in molecular recognition: Enantioselectivity in chiral chromatography.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 718, doi. 10.1002/jcc.540100513
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- Article
A molecular mechanics (MM2) study of Furan, Thiophene, and related compounds.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 635, doi. 10.1002/jcc.540100506
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Masthead.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. fmi, doi. 10.1002/jcc.540100501
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- Article
Force field parameterization for the 4-fluorophenyl group.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 711, doi. 10.1002/jcc.540100512
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- Article
An algorithm for the representation and computation of supermolecular surfaces and volumes.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 628, doi. 10.1002/jcc.540100505
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- Article
Voronoi binding site models: Calculation of binding modes and influence of drug binding data accuracy.
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- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 673, doi. 10.1002/jcc.540100509
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- Article