Química teórica e computacional
QTEC
Carnegie Mellon University
Pittsburgh, Estados UnidosPublicacións en colaboración con investigadores/as de Carnegie Mellon University (1)
1997
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Nature of the transition structure for alkene epoxidation by peroxyformic acid, dioxirane, and dimethyldioxirane: A comparison of B3LYP density functional theory with higher computational levels
Journal of Physical Chemistry A, Vol. 101, Núm. 34, pp. 6092-6100