Industrial Applications of Simulation Studies in Solid State Chemistry

C. R. A. Catlow Department of Chemistry, University of Keele, Staffs, ST5 5BG

P. A. Cox Department of Chemistry, University of Keele, Staffs, ST5 5BG

R. A. Jackson Department of Chemistry, University of Keele, Staffs, ST5 5BG

S. C. Parker School of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY

G. D. Price Department of Geological Sciences, University College London, Gower St., London, WC1E 6BT

S. M. Tomlinson Department of Chemistry, University of Keele, Staffs, ST5 5BG

R. Vetrivel Department of Chemistry, University of Keele, Staffs, ST5 5BG

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Abstract

This paper gives an account of some recent applications of computer simulation techniques to materials of industrial importance. The methodology used is fully discussed, and applications to zeolites, high T^c superconductors, superionic conductors and mantle-forming minerals are described.

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Industrial Applications of Simulation Studies in Solid State Chemistry

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Industrial Applications of Simulation Studies in Solid State Chemistry

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