DYNAMICS OF THE H-]HCL+BR - TST-CEQ AND VTST CALCULATIONS(LH' REACTION CL+HBR)

Collinear quantum scattering calculations have been carried out using hyperspherical coordinates and the Broida -Persky LEPS surface for the title reaction. Our results are compared with those from available si milar calculations. We have also calculated some state-selected reacti on cross sections and rate constants by the method of TST-CEQ, and the se are found to be close to previous QCT and experimental results. VTS T calculations are also done on the same surface and the calculated th ermal rate constants and kinetic isotope effects are in good agreement with those from QCT calculations and experiments. We conclude that th e potential energy surface used in the present study may be a better o ne and is recommended to be employed in further dynamical calculations .