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Autor:
Diéguez HR; Department of Organic Chemistry, Institute of Biotechnology, University of Granada, Avda. Fuentenueva, 18071 Granada, Spain., López A, Domingo V, Arteaga JF, Dobado JA, Herrador MM, Quílez del Moral JF, Barrero AF
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2010 Jan 13; Vol. 132 (1), pp. 254-9.
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