Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 6

Results: 13

Comparison of potential-derived charge and atomic multipole models in calculating electrostatic potentials and energies of some nucleic acid bases and pairs.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 777, doi. 10.1002/jcc.540160613

By:

Ritchie, James P.;
Copenhaver, Ann S.

Publication type:

Article

Efficient conformational space sampling for nucleosides using internal coordinate Monte Carlo simulations and a modified furanose description.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 667, doi. 10.1002/jcc.540160603

By:

Gabb, H. A.;
Lavery, R.;
Prévost, C.

Publication type:

Article

An analytical algorithm for the rapid determination of the solvent accessibility of points in a three-dimensional lattice around a solute molecule.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 743, doi. 10.1002/jcc.540160610

By:

You, Tony;
Bashford, Donald

Publication type:

Article

Dynamic load balancing algorithms for replicated data molecular dynamics.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 715, doi. 10.1002/jcc.540160607

By:

Young, William S.;
Brooks, Charles L.

Publication type:

Article

Theoretical study of the gas-phase addition of HF and HCl to ethylene: Analysis of the catalytic action of dimeric halides.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 659, doi. 10.1002/jcc.540160602

By:

Menéndez, M. I.;
Suárez, D.;
Sordo, J. A.;
Sordo, T. L.

Publication type:

Article

The role of the carboxylate ion in models of acyl-chymotrypsin.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 705, doi. 10.1002/jcc.540160606

By:

Tong, Weida;
D'Souza, Valerian T.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1995, v. 16, n. 6, p. fmi, doi. 10.1002/jcc.540160601
Publication type:: Article

Potential energy function for cation-peptide interactions: An ab initio study.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 690, doi. 10.1002/jcc.540160605

By:

Roux, Benoît;
Karplus, Martin

Publication type:

Article

The electronic structure of weakly bound systems. II. Ne X+ and Ar X+( X = H2O, HCl, and HF) bimolecular cations.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 768, doi. 10.1002/jcc.540160612

By:

López, Gustavo E.

Publication type:

Article

Genetic algorithms: A robust scheme for geometry optimizations and global minimum structure problems.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 729, doi. 10.1002/jcc.540160609

By:

Mestres, Jordi;
Scuseria, Gustavo E.

Publication type:

Article

A simple yet accurate boundary element method for continuum dielectric calculations.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 681, doi. 10.1002/jcc.540160604

By:

Purisima, Enrico O.;
Nilar, Shahul H.

Publication type:

Article

The electronic structure of weakly bound systems. I. Rare-gas bimolecular cations.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 758, doi. 10.1002/jcc.540160611

By:

López, Gustavo E.

Publication type:

Article

The true diatomic potential as a perturbed Morse function.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 6, p. 723, doi. 10.1002/jcc.540160608

By:

Dagher, Mounzer;
Kobersi, Mounif;
Kobeissi, Hafez

Publication type:

Article