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Fractional power dependence of rate on activation energy for reactions with very low internal barriers

Poornimadevi, CS and Bagchi, Biman (1988) Fractional power dependence of rate on activation energy for reactions with very low internal barriers. In: Chemical Physics Letters, 149 (4). pp. 411-416.

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Abstract

The dynamics of reactions with low internal barriers are studied both analytically and numerically for two different models. Exact expressions for the average rate,kI, are obtained by solving the associated first passage time problems. Both the average rate constant, kI, and the numerically calculated long-time rate constant, kL, show a fractional power law dependence on the barrier height for very low barriers. The crossover of the reaction dynamics from low to high barrier is investigated.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 21 Aug 2009 09:01
Last Modified: 19 Sep 2010 05:39
URI: http://eprints.iisc.ernet.in/id/eprint/21920

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