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Digitale Medien

Shortcomings of current theories of non-Markovian activated rate processes (1985)

Straub, John E. ; Borkovec, Michal ; Berne, Bruce J.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 83 (1985), S. 3172-3174

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Details

ISSN: 1089-7690

Quelle: AIP Digital Archive

Thema: Physik , Chemie und Pharmazie

Notizen: We calculate the barrier crossing rate constants for a Brownian particle in a double well potential experiencing a non-Markovian friction kernel using full stochastic simulation. We compare the simulation results with recently proposed interpolation formulas which are based on the Grote–Hynes relation and energy diffusion mechanism. We find that such formulas fail in the intermediate regime by orders of magnitude. Therefore we question interpretations of dependence of isomerization rate data on the viscosity based on such ideas.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1063/1.449172

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