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Autor:
Krenske EH; School of Chemistry, University of Melbourne, VIC 3010, Australia. ekrenske@unimelb.edu.au, Davison EC, Forbes IT, Warner JA, Smith AL, Holmes AB, Houk KN
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2012 Feb 01; Vol. 134 (4), pp. 2434-41. Date of Electronic Publication: 2012 Jan 17.
Autor:
Armando Lopez, José A. Dobado, José F. Quílez del Moral, M. Mar Herrador, Alejandro F. Barrero, Victoriano Domingo, Horacio R. Dieguez, Jesús F. Arteaga
Publikováno v:
Journal of the American Chemical Society. 132(1)
Investigations detailed herein, including density functional theory (DFT) calculations, demonstrate that the formation of either alkoxy- or hydroxy-Ti(III) complexes considerably decreases the energy of activation for C-O bond homolysis. As a consequ