DFT Research on the Dehydroxylation Reaction of Pyrophyllite 1. First-Principle Molecular Dynamics Simulations
Molina-Montes, Esther, Donadio, Davide, Hernández-Laguna, Alfonso, Sainz-Díaz, C. Ignacio, Parrinello, MicheleVolume:
112
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp711278s
Date:
June, 2008
File:
PDF, 2.27 MB
english, 2008