• A quasiclassical trajectory analysis of stereodynamics of the H+FCl ($v=0- 3$, $j=0- 3$) → HCl+F reaction

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    • Keywords


      Quasiclassical trajectory method; chemical stereodynamics; polarization-dependent differential cross sections.

    • Abstract


      The chemical stereodynamics for the title reaction are studied by the quasiclassical trajectory method. Employing the recent works of Deskevich, Hayes, Takahashi, Skodje, and Nesbitt (DHTSN) potential energy surface of the ground $1^2$A' electronic state, the present work calculates the polarizationdependent differential cross sections and the three angular distributions which describe the vector correlations among the product angular momentum j' and the reagent and the product initial relative velocities k and k'. The effect of vibrational and rotational excitations for the reagent FCl and the influence of collision energies on the stereodynamical quantities are also investigated and discussed.

    • Author Affiliations


      Xian-Fang Yue1 Xiangyang Miao2

      1. Department of Physics and Information Engineering, Jining University, Qufu 273155, China
      2. College of Physics and Information Engineering, Shanxi Normal University, Linfen 041004, China
    • Dates

  • Journal of Chemical Sciences | News

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