A first principles determination of the orientation of H3O+ in hydronium
The existence or otherwise of the hydronium cation within the mineral alunite has proved difficult to verify based on experimental data alone. In the present study, we employ first-principles quantum mechanical techniques to determine the nature of the structure of hydronium alunite. A new model for...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
Mineralogical Society of America
2010
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/29352 |