Schatz, George C. and Kuppermann, Aron (1973) Role of direct and resonant (compound state) processes and of their interferences in the quantum dynamics of the collinear H + H2 exchange reaction. Journal of Chemical Physics, 59 (2). pp. 964-965. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:SCHAjcp73b
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The question of the relative importance of compound state (i.e., activated complex) and direct reaction mechanisms has been of central importance for the dynamical foundations of chemical kinetics [1,2]. The studies here reported indicate that in the quantum dynamics of the historically important H + H2 exchange reaction not only do both such mechanisms contribute but also that their interference plays a central role in determining the pronounced quantum oscillations of the reaction probability as a function of energy . This accounts not only for the absence of such oscillations in quasiclassical calculations , but also for the inability of the present semiclassical formalism  to produce them .
|Additional Information:||©1973 The American Institute of Physics. Received 25 April 1973. Research supported in part by the U.S. Atomic Energy Commission, Report Code Number CALT-767P4-115. [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 Number 4679.|
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|Deposited On:||08 Apr 2008|
|Last Modified:||26 Dec 2012 09:56|
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