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The determination of a quantum correction factor for the transitional modes of a unimolecular dissociation/free radical recombination reaction having a transition state of varying looseness is described. The quantum correction factor for the high pressure canonical rate constant is calculated via Monte Carlo path integral evaluation of partition function ratios, and is applied to the recombination reaction 2CH3→C2H6.
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Klippenstein et al. (1987) studied this question.
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