SYMMETRY - A COMPUTER-PROGRAM FOR THE ANALYSIS OF THE DISTORTIONS OF THE MX(6)(O-H) AND MX(4)(T-D) COMPLEXES IN CRYSTALLINE ENVIRONMENTS

Authors
CAVALLI E CAMMI R
Citation
E. Cavalli et R. Cammi, SYMMETRY - A COMPUTER-PROGRAM FOR THE ANALYSIS OF THE DISTORTIONS OF THE MX(6)(O-H) AND MX(4)(T-D) COMPLEXES IN CRYSTALLINE ENVIRONMENTS, Computers & chemistry, 18(4), 1994, pp. 405-411
Citations number
8
Categorie Soggetti
Computer Application, Chemistry & Engineering",Chemistry,"Computer Science Interdisciplinary Applications
Journal title
Computers & chemistry → ACNP
ISSN journal
00978485
Volume
18
Issue
4
Year of publication
1994
Pages
405 - 411
Database
ISI
SICI code
0097-8485(1994)18:4<405:S-ACFT>2.0.ZU;2-S
Abstract
SYMMETRY is a program that allows to draw all the approximate symmetri es for distorted octahedral MX, and tetrahedral MX, molecules in cryst alline solids. It is based on the general method for the analysis of m olecular distortion using Cartesian symmetry coordinates. A general de scription of the program is reported, and some examples of input and o utput are supplied.