Conversion of methanol to dimethyl ether over silicoaluminophosphates: Isolated acid sites and the influence of silicon islands. A DFT-ONIOM study

Article

Abstract: ONIOM(DFT:PM3) calculations were analyzed here in order to examine if, and how the isolated Brønsted

Palabras claves:

DME, NH adsorption 3, ONIOM, SAPO, ωB97X-D

Autores:

Alejos P., Añez R., David Santiago Coll, Sierraalta A.

Fuentes:

scopus