Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 8

Results: 15

Decoupling approximations for quantum vibrational predissociation dynamics: The tests on the low-level golden rule approaches for some rare gas-Cl<sub>2</sub>, ICl complexes.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 919, doi. 10.1002/(SICI)1096-987X(199606)17:8<919::AID-JCC1>3.0.CO;2-U

By:

Buchachenko, A. A.;
Baisogolov, A. Yu.;
Stepanov, N. F.

Publication type:

Article

Numerical calculation of molecular surface area. I. Assessment of errors.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 962, doi. 10.1002/(SICI)1096-987X(199606)17:8<962::AID-JCC5>3.0.CO;2-P

By:

Bliznyuk, Andrey A.;
Gready, Jill E.

Publication type:

Article

Loop problem in proteins: Developments on Monte Carlo simulated annealing approach.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 1002, doi. 10.1002/(SICI)1096-987X(199606)17:8<1002::AID-JCC9>3.0.CO;2-Y

By:

Carlacci, Louis;
Englander, S. Walter

Publication type:

Article

Electrostatic multipole representation of a polypeptide chain: An algorithm for simulation of polypeptide properties.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 1033, doi. 10.1002/(SICI)1096-987X(199606)17:8<1033::AID-JCC12>3.0.CO;2-F

By:

Pappu, Rohit V.;
Schneller, William J.;
Weaver, David L.

Publication type:

Article

Sum and density of states of polyatomic systems with hindered rotors.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 954, doi. 10.1002/(SICI)1096-987X(199606)17:8<954::AID-JCC4>3.0.CO;2-Q

By:

Forst, Wendell

Publication type:

Article

Portable, parallel transformation: Distributed-Memory approach.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 992, doi. 10.1002/(SICI)1096-987X(199606)17:8<992::AID-JCC8>3.0.CO;2-M

By:

Covick, Lawrence A.;
Sando, Kenneth M.

Publication type:

Article

Lattice modeling: Accuracy of energy calculations.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 1025, doi. 10.1002/(SICI)1096-987X(199606)17:8<1025::AID-JCC11>3.0.CO;2-D

By:

Reva, Boris A.;
Sanner, Michel F.;
Olson, Arthur J.;
Finkelstein, Alexei V.

Publication type:

Article

Parameter analysis and refinement toolkit system and its application in MM3 parameterization for phosphine and its derivatives.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 940, doi. 10.1002/(SICI)1096-987X(199606)17:8<940::AID-JCC3>3.0.CO;2-R

By:

Liang, Guyan;
Fox, Peter C.;
Bowen, J. Phillip

Publication type:

Article

Fast adaptive multipole method for computation of electrostatic energy in simulations of polyelectrolyte DNA.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 976, doi. 10.1002/(SICI)1096-987X(199606)17:8<976::AID-JCC7>3.0.CO;2-O

By:

Fenley, Marcia O.;
Olson, Wilma K.;
Chua, Kiat;
Boschitsch, Alexander H.

Publication type:

Article

Molecular mechanics simulation studies of dienoic hydrocarbons: From alkenes to 1-Palmitoyl-2-linoleoyl-phosphatidylcholines.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 1013, doi. 10.1002/(SICI)1096-987X(199606)17:8<1013::AID-JCC10>3.0.CO;2-F

By:

Li, Shusen;
Huang, Ching-Hsien

Publication type:

Article

Parametrization of GROMOS force field for oligosaccharides and assessment of efficiency of molecular dynamics simulations.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 1068, doi. 10.1002/(SICI)1096-987X(199606)17:8<1068::AID-JCC14>3.0.CO;2-A

By:

Ott, Karl-Heinz;
Meyer, Bernd

Publication type:

Article

Enantioselective binding of α-pinene and of some cyclohexanetriol derivatives by cyclodextrin hosts: A molecular modeling study.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 931, doi. 10.1002/(SICI)1096-987X(199606)17:8<931::AID-JCC2>3.0.CO;2-S

By:

Black, Delbert R.;
Parker, Craig G.;
Zimmerman, S. Scott;
Lee, Milton L.

Publication type:

Article

Numerical calculation of molecular surface area. II. Speed of calculation.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 970, doi. 10.1002/(SICI)1096-987X(199606)17:8<970::AID-JCC6>3.0.CO;2-O

By:

Bliznyuk, Andrey A.;
Gready, Jill E.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1996, v. 17, n. 8, p. fmi, doi. 10.1002/jcc.540170801
Publication type:: Article

Applications of spectral-Representation model as a potential method for Cu clusters.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 8, p. 1056, doi. 10.1002/(SICI)1096-987X(199606)17:8<1056::AID-JCC13>3.0.CO;2-C

By:

Tatewaki, Hiroshi;
Katsuki, Shinichi;
Sakai, Yoshiko;
Miyoshi, Eisaku

Publication type:

Article