Química teórica e computacional
QTEC
Yale University
New Haven, Estados UnidosPublicacións en colaboración con investigadores/as de Yale University (2)
2004
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Proton transfer dynamics via high resolution spectroscopy in the gas phase and instanton calculations
Journal of Chemical Physics, Vol. 120, Núm. 24, pp. 11351-11354
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