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Catalysis Today(1)
International Journal of Quantum Chemistry(1)
Microporous and Mesoporous Materials(1)
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Química física(2)
Química inorgánica(2)
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Study of template interactions in MFI and MEL zeolites using quantum methods
ArticleAbstract: The interactions between zeolites and templates in MFI and MEL (MEL1 and MEL2) structures combined wPalabras claves:DFT-D, DFTB-LD, molecular dynamics, Template-zeolite interactions, Theoretical modelingAutores:Córdova-Sintjago T.C., Díaz R., Luis José Borrero González, Ruette F., Sánchez M.Fuentes:googlescopusTheoretical study of dimeric dioxo-μ-oxo and oxo-bis (μ-oxo) of molybdenum complexes used in catalytic oxidations reactions
Conference ObjectAbstract: In this work dimeric complexes, dioxo-μ-oxo and oxo-bis (μ-oxo) of molybdenum, were theoretically moPalabras claves:Catalytic oxidation, CATIVIC, Molybdenum oxide complex, Theoretical modelingAutores:Agrifoglio G., Griffe B., Joaquin L. Brito, Ruette F.Fuentes:googlescopusTheoretical 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:googlescopus