Abstract
The surprisal analysis of trajectory generated rate constants of three endoergic reactions is employed to compare the actual effect of reagent vibrational excitation to that expected on purely energetic grounds. It is shown that the enhancement of the reaction rate is not a function of the potential energy surface alone. Rather, reagent vibrational energy has an opposite effect (as compared to the statistical limit) in the endothermic and exothermic regimes of a given endoergic reaction.
Original language | English |
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Pages (from-to) | 199-204 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 39 |
Issue number | 2 |
DOIs | |
State | Published - 15 Apr 1976 |