Issue 17, 1983

Prediction of mineral structure by energy minimisation techniques

Abstract

Energy minimization techniques in conjunction with ionic model potentials can now be used to predict the crystal structures of many classes of inorganic solids; the present communication, which is concerned with their application to mineral systems, in particular forsterite and beryl, demonstrates their viability as a technique in structural mineralogy.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1983, 936-938

Prediction of mineral structure by energy minimisation techniques

S. C. Parker, C. R. A. Catlow and A. N. Cormack, J. Chem. Soc., Chem. Commun., 1983, 936 DOI: 10.1039/C39830000936

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