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Published September 28, 1984 | public
Journal Article

RRKM reaction rate theory for transition states of any looseness

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 k_(EJ) is then weighted with the initial E and J distributions.

Additional Information

© 1984 Elsevier Science Publishers B.V. Received 6 July 1984, in final form 19 July 1984. This research was supported by a grant from the National Science Foundation.

Additional details

Created:
August 19, 2023
Modified:
October 23, 2023