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- W2040256993 abstract "The theory of unimolecular reactions is reformulated in a way which makes no reference to the concepts of a transition state, a reaction coordinate, or of an activated complex: the present theory is based, instead, on a simple master-equation approach using the estimated positions and lifetimes of the rotation–vibration energy levels of the molecule. The fundamental basis of this reformulation is that the unimolecular rate is derived from the perturbation of the normal modes of internal relaxation of the reactant molecule by the microscopic reaction processes. The thermal decompositions of cyclobutane, cyclopropane, ethyl isocyanide, ethyl chloride, and methyl isocyanide are examined in detail, and it is shown that not only is the present theory much easier to use than is conventional RRKM theory, but also that it gives better results.An Appendix provides a set of algorithms required for these calculations." @default.
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- W2040256993 date "1978-05-15" @default.
- W2040256993 modified "2023-09-26" @default.
- W2040256993 title "A reformulation of the theory of unimolecular reactions" @default.
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- W2040256993 doi "https://doi.org/10.1139/v78-230" @default.
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