TY  - GEN 
AU  - Molina Montes, María Ester
AU  - Donadio, Davide
AU  - Hernández Laguna, Alfonso
AU  - Sainz Díaz, Claro Ignacio
PY  - 2008
UR  - https://hdl.handle.net/10481/88983
AB  - We delineate the dehydroxylation reaction of pyrophyllite in detail by localizing the complete reaction path on the free energy surface obtained previously by Car−Parrinello molecular dynamics and the implemented metadynamics algorithm (Molina-Montes...
LA  - eng
PB  - American Chemical Society
TI  - DFT Research on the Dehydroxylation Reaction of Pyrophyllite 2. Characterization of Reactants, Intermediates, And Transition States along the Reaction Path
DO  - 10.1021/jp8010876
ER  -