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Theoretical study of olefin oxidation process on a dioxo-μ-oxo Mo catalyst
Conference ObjectAbstract: The dimeric complex dioxo (μ-oxo) thiocyanato of molybdenum(VI) bearing a 4,4′-di-ter-butyl-2,2′-bipPalabras claves:Catalytic oxidation mechanism, CATIVIC, Molybdenum oxide complex, Regeneration process, Theoretical modelingAutores:Agrifoglio G., Griffe B., Joaquin L. Brito, Ruette F.Fuentes:googlescopusTheoretical study of the CO catalytic oxidation on Au/SAPO-11 zeolite
Conference ObjectAbstract: Quantum chemistry calculations were carried out, using ONIOM2 methodology, to investigate the CO adsPalabras claves:AuASAPO, calculations, CO adsorption, ONIOM, Quantum chemistry, THEORETICALAutores:Griffe B., Joaquin L. Brito, Sierraalta A.Fuentes:googlescopus