Issue 10, 1990

Computer simulation of the monoclinic distortion in silicalite

Abstract

A lattice-energy minimisation calculation, performed on the ideal orthorhombic structure of silicalite, results in the simulation of the low-temperature monoclinic phase.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1990, 782-783

Computer simulation of the monoclinic distortion in silicalite

R. G. Bell, R. A. Jackson and C. R. A. Catlow, J. Chem. Soc., Chem. Commun., 1990, 782 DOI: 10.1039/C39900000782

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