Works matching IS 01928651 AND DT 1986 AND VI 7 AND IP 6

Results: 11

An empirical potential function for metal centers: Application to molecular mechanics calculations on metalloproteins.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 701, doi. 10.1002/jcc.540070602

By:

Vedani, Angelo;
Dobler, Max;
Dunitz, Jack D.

Publication type:

Article

Improving the flexible molecular fitting technique using distance matrices.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 739, doi. 10.1002/jcc.540070606

By:

Lejeune, J.;
Michel, A.;
Vercauteren, D. P.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1986, v. 7, n. 6, p. fmi, doi. 10.1002/jcc.540070601
Publication type:: Article

On calculations of intermolecular potentials.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 731, doi. 10.1002/jcc.540070605

By:

Bhanuprakash, K.;
Kulkarni, G. V.;
Chandra, Asish K.

Publication type:

Article

Physical chemistry on a microcomputer, by J.H. Noggle, Little, Brown and Co., Boston, 239 pp. price: $12.95 (1985).

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 761, doi. 10.1002/jcc.540070609

By:

Schelly, Z. A.

Publication type:

Article

Computer aided chemical thermodynamics of gases and liquids (theory, models and programs), by Paul Benedek and Ference Olti, John Wiley, New York, approx. 700 pp., $85.00 (1985).

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 762, doi. 10.1002/jcc.540070611

By:

Boyd, Richard H.

Publication type:

Article

A combined ab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH<sub>3</sub>Cl + Cl<sup>−</sup> exchange reaction and gas phase protonation of polyethers.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 718, doi. 10.1002/jcc.540070604

By:

Singh, U. Chandra;
Kollman, Peter A.

Publication type:

Article

Calculations of first- and second-order nonlinear molecular hyperpolarizabilities by perturbation methods: I. An efficient method for evaluating time-independent hyperpolarizabilities.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 756, doi. 10.1002/jcc.540070608

By:

Fripiat, J. G.;
Barbier, C.;
Bodart, V. P.;
André, J. M.

Publication type:

Article

Computer generation of certain classes of molecules, by J.V. Knop, W.R. Muller, K. Szymnsky, and N. Trinajstic, association of chemists and technologists of croatia berislaviceva 6/1, YU-41000 Zagreb and INA Research & development, Proleterskih Brigada 78, YU 41000 Zagreb, Yugoslavia, 250 pp. price: $9.00 (19XX)

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 761, doi. 10.1002/jcc.540070610

By:

Randic, Milan

Publication type:

Article

Conformational analysis of the sixteen C(4)-C(6) and C(4)-C(8) linked dimers of (+)-catechin and (−)-epicatechin.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 711, doi. 10.1002/jcc.540070603

By:

Viswanadhan, V. N.;
Mattice, Wayne L.

Publication type:

Article

Structural features of organic anions: 7-Norbornadienyllithium.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 6, p. 745, doi. 10.1002/jcc.540070607

By:

Lipkowitz, Kenny;
Burkett, Anthony

Publication type:

Article