Volume 8; Issue 4

Journal of Computational Chemistry

Volume 8; Issue 4
1

Masthead

Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 102 KB
english, 1987
2

Introduction

Paul G. Mezey
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 60 KB
english, 1987
4

On Madelung's constant

Keith F. Taylor
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 431 KB
english, 1987
5

Transition structure in a diabatic surface formalism

Fernando Bernardi, Joseph J.W. McDouall, Michael A. Robb
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 1.10 MB
english, 1987
7

Coupled equations approach to multiphoton molecular processes

André D. Bandrauk, Nadia Gélinas
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 962 KB
english, 1987
8

Implementation and applications of Gaussian 82 on a CDC Cyber 205

Arvi Rauk, Remo Dutler
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 809 KB
english, 1987
9

Simulation studies of branched polymer molecules

J. E. G. Lipson
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 722 KB
english, 1987
11

Generalized potential surfaces under inclusion of nuclear motion

Thomas Krüger, Karl Jug
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 752 KB
english, 1987
13

Linear notations and molecular graph similarity

William C. Herndon, Steven H. Bertz
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 713 KB
english, 1987
14

The density amplitude ρ½ and the potential which generates it

N. H. March
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 467 KB
english, 1987
15

Character tables and symmetry eigenvectors for two C3v rotor molecular systems

Yves G. Smeyers, A. Niño
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 675 KB
english, 1987
16

Computational studies of 1,2-dithiete and dithioglyoxal

John D. Goddard
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 669 KB
english, 1987
20

Discrete models of growth and dynamical percolation in chemistry

Simon J. Fraser
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 830 KB
english, 1987
23

Open-shell coupled-cluster method: Electron affinities of Li and Na

Uzi Kaldor
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 465 KB
english, 1987
25

Numerical calculation of eigenvalues for the Schrödinger equation. III

J. W. Neuberger, D. W. Noid
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 276 KB
english, 1987
26

The shape of molecular charge distributions: Group theory without symmetry

Paul G. Mezey
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 804 KB
english, 1987
27

The modeling of chemical phenomena using topological indices

Dennis H. Rouvray
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 995 KB
english, 1987
31

Quasiperiodization in classical hyperchaos

O. E. Rössler, M. Hoffmann
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 571 KB
english, 1987
32

Innate degree of freedom of a graph

D. J. Klein, M. Randić
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 433 KB
english, 1987
33

Graph generators

Milan Randić, Wayne L. Woodworth, Alexander F. Kleiner, Haruo Hosoya
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 942 KB
english, 1987
34

Stereotopological indices for a family of chemical graphs

Kenneth C. Millett
Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 1.19 MB
english, 1987
37

Announcement

Journal:
Journal of Computational Chemistry
Year:
1987
Language:
english
File:
PDF, 39 KB
english, 1987