Babamov, V. K. and Lopez, V. and Marcus, R. A. (1983) Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case. Journal of Chemical Physics, 78 (9). pp. 5621-5628. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:BABjcp83
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A method for approximate treatment of collinear H atom or proton transfer reactions AH+B → A+HB which involve two nearly degenerate vibrational states is developed. The method is based on constructing a diabatic representation of the problem, i.e., one in which the reactant and the product vibrational states are distinguished as such throughout the collision. The diabatic representation is constructed with the aid of the adiabatic one discussed in an earlier paper. The treatment can also be applied to symmetric exchange reactions, in which case it yields good agreement with other results.
|Additional Information:||Copyright © 1983 American Institute of Physics. Received 20 September 1982; accepted 4 November 1982. We are pleased to acknowledge the support of this research by a contract with the Office of Naval Research, and (to V.L.) a Fulbright/Spanish Ministry of Education and Science Fellowship. Noyes Laboratory of Chemical Physics, Contribution No. 6726. Erratum: Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case [J. Chem. Phys. 78, 5621 (1983)]. Vasil K. Babamov et al. J. Chem. Phys. 81, 4182 (1984).|
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|Deposited On:||21 May 2008|
|Last Modified:||26 Dec 2012 10:02|
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