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Published December 3, 2013 | Version Published
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Reprint of: RRKM reaction rate theory for transition states of any looseness

Creators

  • 1. ROR icon California Institute of Technology

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

© 2013 Elsevier B.V. Available online 21 August 2013. This research was supported by a grant from the National Science Foundation.

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Additional details

Identifiers

Eprint ID
43175
Resolver ID
CaltechAUTHORS:20140102-111251066

Related works

Describes
10.1016/j.cplett.2013.08.041 (DOI)

Funding

NSF

Dates

Created
2014-01-09
Created from EPrint's datestamp field
Updated
2021-11-10
Created from EPrint's last_modified field