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Concept of Minimum State Density in the Activated Complex Theory of Bimolecular Reactions

Wong, W. H. and Marcus, R. A. (1971) Concept of Minimum State Density in the Activated Complex Theory of Bimolecular Reactions. Journal of Chemical Physics, 55 (12). pp. 5625-5629. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120813-141020948

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Abstract

In some bimolecular reactions, for example, certain low potential‐energy barrier reactions, the saddle‐point choice for the position of the activated complex is vague and sometimes incorrect. In these and in some others a different choice is needed. The concept of minimum state density for this purpose, its relation to adiabatic transition state theory and to the maximum free energy criterion, are discussed. It is shown how it may be applied to bimolecular reactions using microcanonical activated complex theory for these reactions.


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http://dx.doi.org/10.1063/1.1675730DOIUNSPECIFIED
http://link.aip.org/link/doi/10.1063/1.1675730PublisherUNSPECIFIED
Additional Information:© 1971 American Institute of Physics. Received 5 August 1971. Acknowledgment is made to the National Science Foundation and to the donors of the Petroleum Research Fund, administered by the American Chemical Society, for financial support.
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American Chemical Society Petroleum Research FundUNSPECIFIED
Record Number:CaltechAUTHORS:20120813-141020948
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120813-141020948
Official Citation:Concept of Minimum State Density in the Activated Complex Theory of Bimolecular Reactions W. H. Wong and R. A. Marcus, J. Chem. Phys. 55, 5625 (1971), DOI:10.1063/1.1675730
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:33136
Collection:CaltechAUTHORS
Deposited By: Jason Perez
Deposited On:13 Aug 2012 21:41
Last Modified:26 Dec 2012 15:58

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