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Dielectric Continuum Representation of the Environment

For a dielectric continuum environment, the probability flux correlation function is given by  [Pg.486]

AG is the reaction free energy defined as the difference in the equilibrium free energies for the reactant and product surfaces  [Pg.487]

The R mode reduced mass M and frequency Q are related to the reactant surface ej, Zp, Ze through the second derivative at the minimum  [Pg.487]

These terms reflect the dynamical correlations between the R mode and the non-adiabatic coupling fluctuations. [Pg.488]

The rate expression in Eq. (16.15) can be simplifled signiflcantly under a series of well-deflned approximations. In the short-time high-temperature approximation for a Debye solvent, the solvent dynamics is negligible on the time scale of the probability flux correlation function, leading to the following simpliflcation  [Pg.488]


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