ReaxFF Reactive Molecular Dynamics Simulation of the Hydration of Cu-SSZ-13 Zeolite and the Formation of Cu Dimers

The Journal of Physical Chemistry C

DOI: 10.1021/acs.jpcc.5b00699

George M. Psofogiannakis, John F. McCleerey, Eugenio Jaramillo and Adri C. T. van Duin

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