Volume 7; Issue 6

Journal of Computational Chemistry

Volume 7; Issue 6

1

Masthead

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 123 KB

english, 1986

2

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

Angelo Vedani, Max Dobler, Jack D. Dunitz

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 758 KB

english, 1986

3

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

V. N. Viswanadhan, Wayne L. Mattice

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 645 KB

english, 1986

4

A combined ab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH3Cl + Cl− exchange reaction and gas phase protonation of polyethers

U. Chandra Singh, Peter A. Kollman

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 1.04 MB

english, 1986

5

On calculations of intermolecular potentials

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

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 589 KB

english, 1986

6

Improving the flexible molecular fitting technique using distance matrices

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

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 476 KB

english, 1986

7

Structural features of organic anions: 7-Norbornadienyllithium

Kenny Lipkowitz, Anthony Burkett

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 569 KB

english, 1986

8

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

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

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 414 KB

english, 1986

9

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

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 113 KB

english, 1986

10

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)

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 227 KB

english, 1986

11

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)

Richard H. Boyd

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 188 KB

english, 1986