Experimental and Modeling Studies of Local and Nanoscale para-Cresol Behavior: A Comparison of Classical Force Fields

por Morton, Katie S. C., Elena, Alin M., Armstrong, Jeff, O’Malley, Alexander J.
Publicado 2023

Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations

por Matam, Santhosh K., Silverwood, Ian P., Boudjema, Lotfi, O'Malley, Alexander J., Catlow, C. Richard A.
Publicado 2023