Volume 106, 1997
From the journal:

Faraday Discussions

Introductory Lecture Computer modelling as a technique in solid state chemistry

C. Richard A. Catlow,   Lutz Ackermann,   Robert G. Bell,   Furio Corà,   C—David H. Gay,   Martin A. Nygren,   J. Carlos Pereira,   German Sastre,   C—Ben Slater  and  Phillip E. Sinclair  

Abstract

We describe the role of computer modelling techniques in solving problems relating to both the structural and dynamical properties and to the reactivity of solids. Recent illustrative examples are taken from the fields of microporous materials, ionic and transition metal oxides and molecular crystals.

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Article information

DOI
https://doi.org/10.1039/A701964E
Article type
Paper

Faraday Discuss., 1997,106, 1-40

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Introductory Lecture Computer modelling as a technique in solid state chemistry

C. Richard A. Catlow, L. Ackermann, R. G. Bell, F. Corà, C. H. Gay, M. A. Nygren, J. Carlos Pereira, G. Sastre, C. Slater and P. E. Sinclair, Faraday Discuss., 1997, 106, 1 DOI: 10.1039/A701964E

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