Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 13

Results: 11

Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1520, doi. 10.1002/(SICI)1096-987X(199610)17:13<1520::AID-JCC3>3.0.CO;2-U

By:

Varnek, A.;
Wipff, G.

Publication type:

Article

Normalization of the Fox-Goodwin algorithm to calculate scattering matrices in an adiabatic basis at low and high collision energies.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1559, doi. 10.1002/(SICI)1096-987X(199610)17:13<1559::AID-JCC7>3.0.CO;2-R

By:

Braga, J. P.;
Belchior, J. C.

Publication type:

Article

Announcement.

Published in:: Journal of Computational Chemistry, 1996, v. 17, n. 13, p. ii, doi. 10.1002/jcc.540171302
Publication type:: Article

Conformational and energetic properties of the ammonia dimer-comparison of post-Hartree-Fock and density functional methods.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1508, doi. 10.1002/(SICI)1096-987X(199610)17:13<1508::AID-JCC2>3.0.CO;2-W

By:

Kieninger, Martina;
Suhai, Sándor

Publication type:

Article

An efficient, differentiable hydration potential for peptides and proteins.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1549, doi. 10.1002/(SICI)1096-987X(199610)17:13<1549::AID-JCC6>3.0.CO;2-S

By:

Augspurger, Joseph D.;
Scheraga, Harold A.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1996, v. 17, n. 13, p. fmi, doi. 10.1002/jcc.540171301
Publication type:: Article

Generalized solution of interdiffusion problem: Optimal approach for multicomponent bounded systems.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1497, doi. 10.1002/(SICI)1096-987X(199610)17:13<1497::AID-JCC1>3.0.CO;2-N

By:

Danielewski, M.;
Filipek, R.

Publication type:

Article

Application of a simple diagonal force field to the simulation of cyclopentane conformational dynamics.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1541, doi. 10.1002/(SICI)1096-987X(199610)17:13<1541::AID-JCC5>3.0.CO;2-S

By:

Cornell, Wendy D.;
Ha, Maria P.;
Sun, Yax;
Kollman, Peter A.

Publication type:

Article

The role of databases in support of computational chemistry calculations.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1571, doi. 10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P

By:

Feller, David

Publication type:

Article

The isomers of ionized ethane.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1532, doi. 10.1002/(SICI)1096-987X(199610)17:13<1532::AID-JCC4>3.0.CO;2-T

By:

Hudson, Charles E.;
McAdoo, David J.;
Giam, C. S.

Publication type:

Article

Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1564, doi. 10.1002/(SICI)1096-987X(199610)17:13<1564::AID-JCC8>3.0.CO;2-Q

By:

Kerdcharoen, Teerakiat;
Liedl, Klaus R.;
Rode, Bernd M.

Publication type:

Article