Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 8

Results: 11

Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. IV. Application to hypervalent sulfur- and phosphorus-containing molecules.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1011, doi. 10.1002/jcc.540160808

By:

Park, Je Myung;
Kwon, Oh Young;
No, Kyoung Tai;
Jhon, Mu Shik;
Scheraga, Harold A.

Publication type:

Article

A rapid method for calculating derivatives of solvent accessible surface areas of molecules.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1038, doi. 10.1002/jcc.540160810

By:

Sridharan, S.;
Nicholls, Anthony;
Sharp, Kim A.

Publication type:

Article

The molecular structures and the absorption maxima of the H-chromophores of the indigoid dyes.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 945, doi. 10.1002/jcc.540160804

By:

Chen, P. C.

Publication type:

Article

Ab initio molecular orbital studies of nonidentity allyl transfer reactions.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1045, doi. 10.1002/jcc.540160811

By:

Lee, Ikchoon;
Kim, Chang Kon;
Lee, Bon-Su

Publication type:

Article

An improved description of the molecular charge density in force fields with atomic multipole moments.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 937, doi. 10.1002/jcc.540160803

By:

Koch, Uwe;
Egert, Ernst

Publication type:

Article

A new optimization technique for artificial neural networks applied to prediction of force constants of large molecules.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 923, doi. 10.1002/jcc.540160802

By:

Fischer, Thomas H.;
Petersen, Wesley P.;
Lüthi, Hans Peter

Publication type:

Article

A comprehensive study of the rotational energy profiles of organic systems by ab initio MO theory, forming a basis for peptide torsional parameters.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 984, doi. 10.1002/jcc.540160807

By:

Maxwell, David S.;
Tirado-Rives, Julian;
Jorgensen, William L.

Publication type:

Article

Conformational analysis of jet-cooled tryptophan analogs and Histamine using the MM3(94) force field: Comparison with experiment.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 973, doi. 10.1002/jcc.540160806

By:

Sulkes, Mark

Publication type:

Article

An empirical boundary potential for water droplet simulations.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 951, doi. 10.1002/jcc.540160805

By:

Essex, Jonathan W.;
Jorgensen, William L.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1995, v. 16, n. 8, p. fmi, doi. 10.1002/jcc.540160801
Publication type:: Article

Electrostatic bonding models: A test on group 1 and 2 metal complexes with H2O, NH3, H2S, PH3, and related ligands.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 8, p. 1027, doi. 10.1002/jcc.540160809

By:

Magnusson, Eric

Publication type:

Article