Acta Phys. -Chim. Sin. ›› 1988, Vol. 4 ›› Issue (04): 401-405.doi: 10.3866/PKU.WHXB19880415

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QUASICLASSICAL CALCULATIONS OF INTERNAL STATE ANGULAR DISTRIBUTIONS FOR TRI-ATOMIC REACTION SCATTERING

Sun Benfan; Xu Meiyun; He Guozhong; Lou Nanquan   

  1. Dalian Institute of Chemical Physics; Chinese Academy of Sciences
  • Received:1986-10-15 Revised:1987-07-18 Published:1988-08-15
  • Contact: Xu Meiyun

Abstract: In this work the internal energy angular distributions of the products produced in the atom-diatomic molecule reactive collisions have been calculated using quasiclassical theory. And the vibrational branching ratios were derived from this calculation.
The reactions F+H_2(D_2)→HF(DF)+H(D)were studied with Monte Carlo calaulation of quasiclasscal trajectory method. A potential energy surface of LEPS form was used. A comparison of the results with the experimental data from molecular beam studies shows a fairly good agreement.