CaltechAUTHORS
  A Caltech Library Service

RRKM reaction rate theory for transition states of any looseness

Wardlaw, David M. and Marcus, R. A. (1984) RRKM reaction rate theory for transition states of any looseness. Chemical Physics Letters, 110 (3). pp. 230-234. ISSN 0009-2614. https://resolver.caltech.edu/CaltechAUTHORS:20150629-102705959

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:20150629-102705959

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/0009-2614(84)85219-7 DOIArticle
http://www.sciencedirect.com/science/article/pii/0009261484852197PublisherArticle
ORCID:
AuthorORCID
Marcus, R. A.0000-0001-6547-1469
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.
Funders:
Funding AgencyGrant Number
NSFUNSPECIFIED
Natural Sciences and Engineering Research Council of Canada (NSERC)UNSPECIFIED
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics7061
Issue or Number:3
Record Number:CaltechAUTHORS:20150629-102705959
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20150629-102705959
Official Citation:David M. Wardlaw, R.A. Marcus, RRKM reaction rate theory for transition states of any looseness, Chemical Physics Letters, Volume 110, Issue 3, 28 September 1984, Pages 230-234, ISSN 0009-2614, http://dx.doi.org/10.1016/0009-2614(84)85219-7. (http://www.sciencedirect.com/science/article/pii/0009261484852197)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:58663
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:06 Jul 2015 17:31
Last Modified:22 Nov 2019 09:58

Repository Staff Only: item control page