Theoretical critical configuration for ethane decomposition and methyl radical recombination

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Abstract

A theoretical critical configuration is described which yields calculated rate parameters in agreement with those measured for both the decomposition and recombination reactions in the ethane-methyl radical system. It is shown that if structural effects in the molecule are considered as the reaction coordinate is extended, this critical configuration is nearly identical to one determined by using the concept of minimum state density.

Original languageEnglish
Pages (from-to)734-737
Number of pages4
JournalThe Journal of Chemical Physics
Volume57
Issue number2
DOIs
StatePublished - 1972

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