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Solid-state 17O NMR spectroscopy of hydrous magnesium silicates: Evidence for proton dynamics

Griffin, J.M.; Wimperis, Stephen; Berry, Andrew; Pickard, Chris J.; Ashbrook, Sharon E.

Description

First-principles calculations of 17O quadrupolar and chemical shift NMR parameters were performed using CASTEP, a density functional theory (DFT) code, to try and interpret high-resolution 17O NMR spectra of the humite group minerals hydroxyl-chondrodite

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
URI: http://hdl.handle.net/1885/79886
Source: Journal of Physical Chemistry C
DOI: 10.1021/jp808651x

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