CaltechAUTHORS
  A Caltech Library Service

Vibrational nonadiabaticity and tunneling effects in transition state theory

Marcus, R. A. (1979) Vibrational nonadiabaticity and tunneling effects in transition state theory. Journal of Physical Chemistry, 83 (1). pp. 204-207. ISSN 0022-3654 . http://resolver.caltech.edu/CaltechAUTHORS:20150810-162529916

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

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:20150810-162529916

Abstract

The usual quantum mechanical derivation of transition state theory is a statistical one (a quasi-equilibrium is assumed) or dynamical. The typical dynamical one defines a set of internal states and assumes vibrational adiabaticity. Effects of nonadiabaticity before and after the transition state are included in the present derivation, assuming a classical treatment of the reaction coordinate. The relation to a dynamical derivation of classical mechanical transition state theory is described, and tunneling effects are considered.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/j100464a027DOIArticle
http://pubs.acs.org/doi/abs/10.1021/j100464a027PublisherArticle
Additional Information:© 1979 American Chemical Society. (Received September 18, 1978) It is a pleasure to acknowledge support of this research by a grant from the National Science Foundation. Publication costs assisted by the California Institute of Technology.
Funders:
Funding AgencyGrant Number
NSFUNSPECIFIED
CaltechUNSPECIFIED
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Arthur Amos Noyes Laboratory of Chemical Physics5888
Record Number:CaltechAUTHORS:20150810-162529916
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20150810-162529916
Official Citation:Vibrational nonadiabaticity and tunneling effects in transition state theory R. A. Marcus The Journal of Physical Chemistry 1979 83 (1), 204-207 DOI: 10.1021/j100464a027
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:59375
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:11 Aug 2015 15:26
Last Modified:13 Feb 2019 18:06

Repository Staff Only: item control page