Data for: QM/MM study of the reactivity of zeolite bound methoxy and carbene groups

<p>This data object contains raw energies from which the the interaction energy of methoxy and carbene groups with a H-ZSM-5 zeolite framework have been calculated. The models from which the data has been obtained include molecular moieties as well as zeolite framework species, with and without framework bonded moieties.</p>