TY  - GEN 
AU  - Molina Montes, María Ester
AU  - Donadio, Davide
AU  - Hernández Laguna, Alfonso
AU  - Parrinello, Michele
AU  - Sainz Díaz, Claro Ignacio
PY  - 2013
UR  - https://hdl.handle.net/10481/88991
AB  - We have investigated one of the most controversial aspects of the dehydroxylation–rehydroxylation process of dioctahedral 2:1 phyllosilicates, that is the release of water from the internal structure of the mineral. We simulate the release of water...
LA  - eng
PB  - American Chemical Society
TI  - Water Release from Pyrophyllite during the Dehydroxylation Process Explored by Quantum Mechanical Simulations
DO  - 10.1021/jp310739y
ER  -