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Ab initio Molecular Dynamics study of the dehydroxylation reaction in a smectite model.

Written by Muñoz-Santiburcio, D., Kosa, M., Hernández-Laguna, A.. Sainz-Díaz, C.I., Parrinello, M.

Published in Journal of Physical Chemistry C (12203-12211) December 2012.

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