Selective catalytic reduction of nitrogen oxide by ammonia over Cu/SAPO-11: a theoretical study

Article

Abstract: Quantum chemistry calculations were carried out using the ONIOM2 methodology at two different levels

Palabras claves:

Computational catalysis, Cu-clusters, Cu/SAPO, NH -SCR 3, ONIOM, Theoretical calculations

Autores:

Griffe B., Joaquin L. Brito, Sierraalta A.

Fuentes:

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