DFT Research on the Dehydroxylation Reaction of Pyrophyllite 1. First-Principle Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

DFT Research on the Dehydroxylation Reaction of Pyrophyllite 1. First-Principle Molecular Dynamics Simulations

Published:2008-05-20 Issue:23 Volume:112 Page:7051-7060
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Molina-Montes Esther¹,Donadio Davide¹,Hernández-Laguna Alfonso¹,Sainz-Díaz C. Ignacio¹,Parrinello Michele¹

Affiliation:

1. Laboratorio de Estudios Cristalográficos, Instituto Andaluz de Ciencias de la Tierra (CSIC), Universidad de Granada, Av. Fuentenueva s/n, 18002-Granada, Spain, Laboratory of Physical Chemistry, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6904 Lugano, Switzerland, and Estación Experimental del Zaidín (CSIC), C/ Profesor Albareda 1, 18008-Granada, Spain

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp711278s

Reference34 articles.

1. Argillaceous Sediment Dewatering

2. INVESTIGATION OF THE EFFECT OF HEAT ON THE CLAY MINERALS ILLITE AND MONTMORILLONITE*

3. Solid-State 27Al and 29Si NMR and H CRAMPS Studies of the Thermal Transformations of the 2:1 Phyllosilicate Pyrophyllite

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