Mostrando 3 resultados de: 3
Filtros aplicados
Subtipo de publicación
Article(3)
Parametric calculations of Mo-allyl complexes anchored on silica
ArticleAbstract: The SiO2 anchored Mo(η3-C3H5)4 catalyst was modeled by means of the CNDO-UHF parametrical method. TwPalabras claves:Anchored complex, CNDO-UHF, Metathesis, Mo-allyl catalyst, Parametric methodAutores:Griffe B., Joaquin L. Brito, Ruette F., Sierraalta A.Fuentes:googlescopusTheoretical study of Au/SAPO-11 catalyst and its potential use in thiophene HDS
ArticleAbstract: Quantum chemistry calculations were carried out, using ONIOM2 methodology, in order to investigate tPalabras claves:Au/SAPO-11, Computational catalysis, ONIOM, Theoretical calculations, Thiophene HDSAutores:Griffe B., Joaquin L. Brito, Sierraalta A.Fuentes:googlescopusTheoretical study of the Ga/SAPO-11 catalyst: Extra-framework gallium species and n-butane transformation
ArticleAbstract: Calculations to study the interaction of Ga+, [GaO]+ and Ga2O with a Brönsted acid site of a SAPO-11Palabras claves:calculations, GA, Ga O 2, GaH 2, Gallium hydrides, MSINDO, SAPO-11Autores:Carmen Milena López, Guillén Y., Machado F.J., Martinez R., Rosa-Brussin M., Ruette F., Sierraalta A., Soscun H.J.Fuentes:scopus