A computational and conceptual DFT approach to the kinetics of acid zeolite catalyzed electrophilic aromatic substitution reactions

This combination of computational and conceptual DFT sheds light on intra- and intermolecular reactivity sequences in the acid zeolite catalyzed reactions, apparently dominated by hard-hard interactions and in Lewis acid catalyzed reactions where in view of the vacant orbitals of the Lewis acid, orbital control, reflected in softness matching, is at work.