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Structure of Hydrated Gibbsite and Brucite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal–O–H Angle Bending Terms
Pouvreau, Maxime, Greathouse, Jeffery A., Cygan, Randall T., Kalinichev, Andrey G.Language:
english
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/acs.jpcc.7b05362
Date:
June, 2017
File:
PDF, 4.83 MB
english, 2017