COMPUTER MODELING AS A TECHNIQUE IN SOLID-STATE CHEMISTRY - INTRODUCTORY LECTURE

Authors
CATLOW CRA ACKERMANN L BELL RG CORA F GAY DH NYGREN MA PEREIRA JC SASTRE G SLATER B SINCLAIR PE
Citation
Cra. Catlow et al., COMPUTER MODELING AS A TECHNIQUE IN SOLID-STATE CHEMISTRY - INTRODUCTORY LECTURE, Faraday discussions, (106), 1997, pp. 1-40
Citations number
188
Journal title
Faraday discussions → ACNP
ISSN journal
13596640
Issue
106
Year of publication
1997
Pages
1 - 40
Database
ISI
SICI code
1359-6640(1997):106<1:CMAATI>2.0.ZU;2-1
Abstract
We describe the role of computer modelling techniques in solving probl ems relating to both the structural and dynamical properties and to th e reactivity of solids. Recent illustrative examples are taken from th e fields of microporous materials, ionic and transition metal oxides a nd molecular crystals.