Listar por autoría "ae2084a9-81f2-4dd9-842f-d373d276cb1b"
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Oxygen Atom Transfer Reactions from Mimoun Complexes to Sulfides and Sulfoxides. A Bonding Evolution Theory Analysis
González Navarrete, Patricio; Sensato, Fabricio R.; Andres, Juan; Longo, Elson American Chemical Society (2014-07)In this research, a comprehensive theoretical investigation has been conducted on oxygen atom transfer (OAT) reactions from Mimoun complexes to sulfides and sulfoxides. The joint use of the electron localization function ... -
Structural and electronic properties of lithiated SnO2. A periodic DFT study
Sensato, Fabricio R.; Gracia, Lourdes; Beltran, Armando; Andres, Juan; Longo, Elson American Chemical Society (2012)The structural and electronic properties of the intercalation compound LixSnO2 (x = 1/16, 1/8, 1/4, 1/2, 1) as well as the inherent diffusion mechanism of Li ion into the rutile SnO2 were investigated by means of periodic ...