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Regular version of the site

International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis

Publications
Article
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 M., Greathouse J. A., Cygan R. T. et al.

Journal of Physical Chemistry C. 2017. Vol. 121. No. 27. P. 14757-14771.