The final state and velocity distribution of the reaction D+H 2→HD+H as a function of scattering angle

Normand C. Blais, Donald G. Truhlar

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We present quasiclassical trajectory calculations of velocity-angle contour maps and state distributions as a function of scattering angle for the reaction D + H2 → HD + H. These are calculated using the Liu-Siegbahn-Truhlar-Horowitz potential energy surface. The results show higher vibrational excitation and lower rotational excitation of the backscattered products as compared to the total product distribution. In addition to their fundamental interest, these calculations should be useful in interpreting experiments in which state-to-state differential cross sections are measured.

Original languageEnglish (US)
Pages (from-to)5457-5464
Number of pages8
JournalThe Journal of chemical physics
Issue number9
StatePublished - 1988

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