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Large quantum effects in the collinear F+H2-->FH+H reaction

Schatz, George C. and Bowman, Joel M. and Kuppermann, Aron (1973) Large quantum effects in the collinear F+H2-->FH+H reaction. Journal of Chemical Physics, 58 (9). pp. 4023-4025. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:SCHAjcp73a

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Abstract

We have performed accurate quantum mechanical calculations of reaction probabilities for the collinear F+H2-->FH+H reaction as well as corresponding quasiclassical trajectory calculations. A comparison of these results shows that very significant quantum mechanical effects are present in this reaction.


Item Type:Article
Additional Information:Copyright © 1973 American Institute of Physics. Received 15 February 1973. We thank Ambassador College for the use of their computational facilities in part of the work reported here. Research supported in part by the U.S. Atomic Energy Commission, Report Code CALT-767P4-110. [G.C.S. was a] National Science Foundation predoctoral fellow. Work performed in partial fulfillment of the requirements for the Ph.D. in Chemistry at the California Institute of Technology. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 4641.
Record Number:CaltechAUTHORS:SCHAjcp73a
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:SCHAjcp73a
Alternative URL:http://dx.doi.org/10.1063/1.1679760
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:10058
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:08 Apr 2008
Last Modified:26 Dec 2012 09:56

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