selected publications
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academic article
- Structure of Hydrated Kaolinite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal–O–H Angle Bending Terms. The Journal of Physical Chemistry C. 123:11628-11638. 2019
- 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. The Journal of Physical Chemistry C. 121:14757-14771. 2017