Non-Rice-Ramsperger-Kassel-Marcus dynamics and the statistics of reaction rates in chaotic systems
Recrossings of the transition state are normally thought of as modifying the dynamical prefactor (transmission coefficient) which corrects the Rice–Ramsperger–Kassel–Marcus (RRKM) theory. Here, a semiclassical path analysis is used to show that recurrences to parts of phase space from which reactive...
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| Veröffentlicht in: | The Journal of chemical physics 1993-05, Vol.98 (10), p.7898-7902 |
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| container_end_page | 7902 |
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| container_issue | 10 |
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| container_title | The Journal of chemical physics |
| container_volume | 98 |
| creator | GENTILE, A. C SCHOFIELD, S. A WOLYNES, P. G |
| description | Recrossings of the transition state are normally thought of as modifying the dynamical prefactor (transmission coefficient) which corrects the Rice–Ramsperger–Kassel–Marcus (RRKM) theory. Here, a semiclassical path analysis is used to show that recurrences to parts of phase space from which reactive transitions can occur also lead to fluctuations of the reaction rate about its microcanonical average. This result leads to a simple formula for the power spectrum of the rates. |
| doi_str_mv | 10.1063/1.464545 |
| format | Article |
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| ispartof | The Journal of chemical physics, 1993-05, Vol.98 (10), p.7898-7902 |
| issn | 0021-9606 1089-7690 |
| language | eng |
| recordid | cdi_crossref_primary_10_1063_1_464545 |
| source | AIP Digital Archive |
| subjects | Chemistry Exact sciences and technology General and physical chemistry Theory of reactions, general kinetics Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry |
| title | Non-Rice-Ramsperger-Kassel-Marcus dynamics and the statistics of reaction rates in chaotic systems |
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