Auteur Randall Q. Snurr
Documents disponibles écrits par cet auteur (2)
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Article : texte imprimé
Simón E Albo, Auteur ; Randall Q. Snurr, Auteur ; Linda J. Broadbelt, Auteur |Continuum-level modeling and Knudsen dynamics simulations were used to investigate the oxidative dehydrogenation of ethane in nanostructured membranes. Different operational modes were investigated, including pass-through and sweep-gas modes, an[...]
Article : texte imprimé
Gloria A. E. Oxford, Auteur ; Randall Q. Snurr, Auteur ; Linda J. Broadbelt, Auteur |Hybrid quantum mechanics/molecular mechanics (QM/MM) methods were employed to study electronic effects of 5,5′-substituents on the enantioselectivity of (salen)Mn catalysts. These methods were shown to effectively capture electronic effects of s[...]
