Reprint of: RRKM reaction rate theory for transition states of any looseness

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Abstract

Unimolecular rate theory for various types of reactions is implemented for any looseness of transition state. Quantum states are counted for all but the "transitional" modes, their phase space being counted via Monte Carlo sampling. The rate constant kEJ is then weighted with the initial E and J distributions. © 2013 Elsevier B.V. All rights reserved.

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Wardlaw, D. M., & Marcus, R. A. (2013). Reprint of: RRKM reaction rate theory for transition states of any looseness. Chemical Physics Letters, 589, 23–25. https://doi.org/10.1016/j.cplett.2013.08.061

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