Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 1

Results: 16

Masthead.

Published in:: Journal of Computational Chemistry, 1993, v. 14, n. 1, p. fmi, doi. 10.1002/jcc.540140101
Publication type:: Article

Molecular conformations from distance matrices.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 114, doi. 10.1002/jcc.540140115

By:

Glunt, W.;
Hayden, T.L.;
Raydan, M.

Publication type:

Article

MNDO parameters for helium: Optimization, tests, and application to endohedral fullerene-helium complexes.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 37, doi. 10.1002/jcc.540140108

By:

Kolb, Matthias;
Thiel, Walter

Publication type:

Article

Supplementary d and f functions in molecular wave functions: Optimum and nonoptimum exponents.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 54, doi. 10.1002/jcc.540140110

By:

Magnusson, Eric

Publication type:

Article

Supplementary d and f functions in molecular wave functions at large and small internuclear separations.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 67, doi. 10.1002/jcc.540140111

By:

Magnusson, Eric

Publication type:

Article

An electron repulsion integral compression algorithm.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 8, doi. 10.1002/jcc.540140104

By:

Fülscher, Markus P.;
Widmark, Per-Olof

Publication type:

Article

Rotational barrier in phosphatriafulvene: An MCSCF study.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 3, doi. 10.1002/jcc.540140103

By:

Schoeller, Wolfgang W.;
Strutwolf, Jörg;
Haug, Wilfried;
Busch, Thilo

Publication type:

Article

Comparison of computational methods applied to oxazole, thiazole, and other heterocyclic compounds.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 75, doi. 10.1002/jcc.540140112

By:

Shaffer, Alan A.;
Wierschke, Scott G.

Publication type:

Article

Multigrid solution of the Poisson-Boltzmann equation.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 105, doi. 10.1002/jcc.540140114

By:

Holst, Michael;
Saied, Faisal

Publication type:

Article

Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 30, doi. 10.1002/jcc.540140107

By:

Ryu, Ungsik;
Kim, Myeongcheol;
Lee, Yoon Sup

Publication type:

Article

Editorial.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 1, doi. 10.1002/jcc.540140102

By:

Allinger, Norman L.;
Von R. Schleyer, Paul

Publication type:

Article

Off-lattice Monte Carlo method with constraints: Long-time dynamics of a protein model without nonbonded interactions.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 19, doi. 10.1002/jcc.540140106

By:

Knapp, E.W.;
Irgens-Defregger, A.

Publication type:

Article

Ability of the PM3 quantum-mechanical method to model intermolecular hydrogen bonding between neutral molecules.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 89, doi. 10.1002/jcc.540140113

By:

Jurema, Marcus W.;
Shields, George C.

Publication type:

Article

Vectorizable algorithm for green function and many-body perturbation methods.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 13, doi. 10.1002/jcc.540140105

By:

Zakrzewski, Vyacheslav G.;
von Niessen, Wolfgang

Publication type:

Article

Benzene is not very rigid.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 121, doi. 10.1002/jcc.540140116

By:

Lipkowitz, Kenny B.;
Peterson, Michael A.

Publication type:

Article

Force field for platinum binding to adenine.

Published in:

Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 45, doi. 10.1002/jcc.540140109

By:

Kozelka, Jir̆í;
Savinelli, Roger;
Berthier, Gaston;
Flament, Jean-Pierre;
Lavery, Richard

Publication type:

Article