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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. doi:10.1063/1.1679760.

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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.

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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.
Issue or Number:9
Record Number:CaltechAUTHORS:SCHAjcp73a
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:10058
Deposited By: Archive Administrator
Deposited On:08 Apr 2008
Last Modified:08 Nov 2021 21:04

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