TY  - GEN 
AU  - Molina Montes, María Ester
AU  - Donadio, Davide
AU  - Hernández Laguna, Alfonso
AU  - Sainz Díaz, Claro Ignacio
AU  - Parrinello, Michele
PY  - 2008
UR  - https://hdl.handle.net/10481/88989
AB  - The dehydroxylation of pyrophyllite involves the reaction of OH groups and elimination of water molecules through two possible mechanisms, one involving the bridging hydroxyl groups of an octahedral Al3+ pair and the other two hydroxyl groups reacting...
LA  - eng
PB  - American Chemical Society
TI  - DFT Research on the Dehydroxylation Reaction of Pyrophyllite 1. First-Principle Molecular Dynamics Simulations
DO  - 10.1021/jp711278s
ER  -