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The dynamic and the stochastic reaction rate approaches to nonradiative processes in condensed media (1992)

Christov, S. G.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 44 (1992), S. 1-15

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: A comparison is made between the exact classical dynamic theory and the stochastic theory of reaction rates in dense media. The conditions of their equivalence are derived on the basis of a harmonic oscillator model. It is shown in a direct way that in the general case of a multidimensional system the approximate activated complex (transition-state) theory is not identical to the stochastic theory at any value of the viscosity coefficient. © 1992 John Wiley & Sons, Inc.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560440102

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