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

By:

Hosoya, Haruo;
Balasubramanian, K.

Publication type:

Article

Evaluation of the dispersion contribution to the solvation energy. A simple computational model in the continuum approximation.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 616, doi. 10.1002/jcc.540100504

By:

Floris, F.;
Tomasi, J.

Publication type:

Article

Announcement.

Published in:: Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 748, doi. 10.1002/jcc.540100515
Publication type:: Article

3 S- Versus 1 s-type Gaussian primitives: Modifications of the 3-21G(*) basis set for the sulfur atom.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 660, doi. 10.1002/jcc.540100508

By:

Sabio, Michael;
Topiol, Sid

Publication type:

Article

On the construction of the matching polynomial for unbranched catacondensed benzenoids.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 683, doi. 10.1002/jcc.540100510

By:

Randić, Milan;
Hosoya, Haruo;
Polansky, Oskar E.

Publication type:

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).

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 603, doi. 10.1002/jcc.540100503

By:

Del Bene, Janet E.

Publication type:

Article

Methods for the Fourier-series expansion of torsional energies.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 733, doi. 10.1002/jcc.540100514

By:

Chung-Phillips, Alice

Publication type:

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

By:

Chesnut, D. B.;
Moore, K. D.

Publication type:

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

By:

Lipkowitz, Kenny B.;
Zegarra, Richard

Publication type:

Article

Theoretical studies in molecular recognition: Enantioselectivity in chiral chromatography.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 718, doi. 10.1002/jcc.540100513

By:

Lipkowitz, Kenny B.;
Baker, Brian;
Zegarra, Richard

Publication type:

Article

A molecular mechanics (MM2) study of Furan, Thiophene, and related compounds.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 635, doi. 10.1002/jcc.540100506

By:

Tai, Julia C.;
Lii, Jenn-Huei;
Allinger, Norman L.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1989, v. 10, n. 5, p. fmi, doi. 10.1002/jcc.540100501
Publication type:: 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

By:

Gregory, D. H.;
Gerig, J. T.

Publication type:

Article

An algorithm for the representation and computation of supermolecular surfaces and volumes.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 628, doi. 10.1002/jcc.540100505

By:

Karfunkel, Heinrich R.;
Eyraud, Veronique

Publication type:

Article

Voronoi binding site models: Calculation of binding modes and influence of drug binding data accuracy.

Published in:

Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 673, doi. 10.1002/jcc.540100509

By:

Boulu, Laurent G.;
Crippen, Gordon M.

Publication type:

Article