Computer modelling of hydrogen defects in the clinopyroxenes diopside and jadeite

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Computer modelling of hydrogen defects in the clinopyroxenes diopside and jadeite

Atomistic computer simulation techniques have been employed to model mechanisms of hydrogen incorporation in the clinopyroxenes diopside and jadeite. Calculation of solution reaction energies for the pure phases indicates that hydrogen is most easily incorporated via the formation of [VSi(OH)4]x h...

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Bibliographic Details
Main Authors:	Gatzemeier, A., Wright, Kathleen
Format:	Journal Article
Published:	Springer-Verlag GmbH 2006
Subjects:	Diopside Jadeite Clinopyroxene Hydrogen IR frequencies Defects
Online Access:	http://hdl.handle.net/20.500.11937/35679

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