The dynamics of a tunneling proton in a symmetric H-bond is described in terms of a simple spin-boson model. The quantum evolution is exactly solved and this allows us to derive the expression of the rate constant in terms of the 'microscopic' parameters of the model and also to discuss the validity range of the transition state theory description of proton transfer phenomena.
Proton tunneling in symmetric H-bond: a simple microscopic model
VITALI, David
1995-01-01
Abstract
The dynamics of a tunneling proton in a symmetric H-bond is described in terms of a simple spin-boson model. The quantum evolution is exactly solved and this allows us to derive the expression of the rate constant in terms of the 'microscopic' parameters of the model and also to discuss the validity range of the transition state theory description of proton transfer phenomena.File in questo prodotto:
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