Computer modelling of silicates
- 1 January 1987
- journal article
- research article
- Published by Taylor & Francis in International Reviews in Physical Chemistry
- Vol. 6 (3), 227-250
- https://doi.org/10.1080/01442358709353406
Abstract
We describe the basic methodologies and applications of computer modelling methods applied to the simulation of silicates and aluminosilicates. We discuss the use of distance least squares (DLS), electrostatic, Born-model and quantum mechanical methods. We consider applications to the simulation of the structures and defect properties of silicates. We include discussions of recent work on zeolites and on Mg2Si04.Keywords
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