Listar por autoría "201d1f24-23d1-40fc-be49-129d65aff41a"
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A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligand
Andres, Juan; Ronil Sensato, Fabricio; Bezerra Cass, Quezia; Rebelo Lopes, Bianca; Campos Lourenço, Tiago; Zukerman-Schpector, Julio; Tiekink, Edward R.T.; Longo, Elson Elsevier (2011)A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA = N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP ... -
Olefin Epoxidation by Molybdenum Peroxo Compound: Molecular Mechanism Characterized by the Electron Localization Function and Catastrophe Theory
Berski, Slawomir; Ronil Sensato, Fabricio; Polo Ortiz, Victoriano; Andres, Juan; Safont Villarreal, Vicent Sixte ACS (2011-02)The oxygen atom transfer reaction from the Mimoun-type complex MoO(η2-O2)2OPH3 to ethylene C2H4 affording oxirane C2H4O has been investigated within the framework of the Bonding Evolution Theory in which the corresponding ...