Theoretical Infrared Absorption Coefficient of OH Groups in Minerals

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Theoretical Infrared Absorption Coefficient of OH Groups in Minerals

The integrated molar absorption coefficient of isolated and localized OH groups in selected minerals is theoretically investigated within the density functional theory framework. The overall decrease in absorption coefficient of stretching modes observed with increasing frequency is consistent with...

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Bibliographic Details
Main Authors:	Balan, E., Refson, K., Blanchard, M., Delattre, S., Lazzeri, M., Ingrin, J., Mauri, F., Wright, Kathleen, Winkler, B.
Format:	Journal Article
Published:	Mineralogical Society of America 2008
Online Access:	http://hdl.handle.net/20.500.11937/12890

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