Imagen de Portada
Código QR

Transmission Coefficients for Chemical Reactions with Multiple States: Role of Quantum Decoherence.

Transition-state theory (TST) is a widely accepted paradigm for rationalizing the kinetics of chemical reactions involving one potential energy surface (PES). Multiple PES reaction rate constants can also be estimated within semiclassical approaches provided the hopping probability between the quant...

Descripción completa

Publicado en:Journal of the American Chemical Society Vol. 133; no. 11; pp. 3883 - 3895
Autores principales: de la Lande, Aurélien, Řezáč, Jan, Lévy, Bernard, Sanders, Barry C., Salahub, Dennis R.
Formato: Artículo
Publicado: American Chemical Society 3/23/2011
Materias:
Chemical reactions
Dynamics
Potential energy surfaces
Charge exchange
Monooxygenases
Quantum chemistry
Acceso en línea:Ver este registro en EBSCOhost