Author:
Jackson R. A.,Meenan P. A.,Price G. D.,Roberts K. J.,Telfer G. B.,Wilde P. J.
Abstract
AbstractThe procedure for deriving interatomic potentials for molecular ionic materials, using empirical fitting procedures, is described. Potentials are obtained for carbonates, phosphates and perchlorates, and used to calculate crystal and lattice properties which are compared with available experimental data.
Subject
Geochemistry and Petrology
Cited by
39 articles.
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