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Differential Cross Sections for Abstraction Reactions of Halogen Atoms with Molecular Hydrogen Including Nonadiabatic Effects

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Theory of Chemical Reaction Dynamics

Part of the book series: NATO Science Series II: Mathematics, Physics and Chemistry ((NAII,volume 145))

Abstract

We describe in detail the determination of differential cross sections for the abstraction reaction of a halogen atom with molecular hydrogen. As an illustration we give some examples of differential cross sections for the F+H2→HF+H and Cl+H2→HCl+H reactions, extending calculations described in earlier publications from our research groups.

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Authors and Affiliations

  1. Department of Chemistry and Biochemistry, Institute for Physical Science and Technology, and Chemical Physics Program, University of Maryland, College Park, MD, 20742-2021, USA

    Millard H. Alexander & Yi-Ren Tzeng

  2. Dipartimento di Chimica, Università di Perugia, 06123, Perugia, Italy

    Dimitris Skouteris

Authors
  1. Millard H. Alexander
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  2. Yi-Ren Tzeng
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  3. Dimitris Skouteris
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Editors and Affiliations

  1. Department of Chemistry, University of Perugia, Perugia, Italy

    Antonio Lagana

  2. Institute of Chemistry, Chemical Research Center, Budapest, Hungary

    Gyögy Lendvay

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Alexander, M.H., Tzeng, YR., Skouteris, D. (2004). Differential Cross Sections for Abstraction Reactions of Halogen Atoms with Molecular Hydrogen Including Nonadiabatic Effects. In: Lagana, A., Lendvay, G. (eds) Theory of Chemical Reaction Dynamics. NATO Science Series II: Mathematics, Physics and Chemistry, vol 145. Springer, Dordrecht. https://doi.org/10.1007/1-4020-2165-8_2

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