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International Journal of Quantum Chemistry(1)
Journal of Catalysis(1)
Organometallics(1)
Surface Science(1)
Formation of [CH<inf>4</inf>–Fe]<sup>q</sup> (q = −1, 0, +1) Complexes and Oxidative Addition of Methane to Fe<sup>q</sup> Atoms. A Qualitative Molecular Orbital Study
ArticleAbstract: The formation of [CH4-Fe]q complexes and the oxidative addition of methane to iron metal centers FeqPalabras claves:Autores:Luis Rincon, Rodriguez-Arias E.N., Ruette F.Fuentes:scopusMolecular orbital calculations of the dissociative adsorption of a hydrogen molecule on a 14 atom nickel cluster
ArticleAbstract: MINDO/SR molecular orbital calculations have been performed for the Ni14H2 system in order to studyPalabras claves:Autores:Eduardo V. Ludeña, Hernandez A.J., Ruette F.Fuentes:scopusMolecular orbital calculations of the hydrodesulfurization of thiophene over a MoCo catalyst
ArticleAbstract: We report molecular orbital calculations (CNDO) of the desulfurization reaction of thiophene over aPalabras claves:Autores:Eduardo V. Ludeña, Ruette F.Fuentes:scopusTheoretical 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