TEST OF TRAJECTORY CALCULATIONS AGAINST QUANTUM-MECHANICAL STATE-TO-STATE AND THERMAL COLLINEAR REACTION-RATES FOR H+CL2-]HCL+CL

State-to-state, state-selected, and completely thermal rate constants and associated Arrhenius parameters are computed for the collinear H + Cl2 reaction using new quantum mechanical reaction probabilities. Thermal rate constants for production of specific final states and the mean fraction of available energy in vibrational excitation energy of the product are also computed. These results are compared systematically to previous trajectory calculations of the same quantitites. Three different trajectory methods are considered. © 1979 American Chemical Society.