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...
| Main Authors: | , , , , , , , , |
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| Format: | Journal Article |
| Published: |
Mineralogical Society of America
2008
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| Online Access: | http://hdl.handle.net/20.500.11937/12890 |