Amorphous Silica Slab Models with Variable Surface Roughness and Silanol Density for Use in Simulations of Dynamics and Catalysis

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Wimalasiri, Pubudu N., Nguyen, Nuong P., Senanayake, Hasini S., Laird, Brian B., Thompson, Ward H.. 2021-10-19. Amorphous Silica Slab Models with Variable Surface Roughness and Silanol Density for Use in Simulations of Dynamics and Catalysis. https://doi.org/10.1021/acs.jpcc.1c06580

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