Abstract

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 similar calculations. We have also calculated some state-selected reaction cross sections and rate constants by the method of TST-CEQ, and these are found to be close to previous QCT and experimental results. VTST calculations are also done on the same surface and the calculated thermal rate constants and kinetic isotope effects are in good agreement with those from QCT calculations and experiments. We conclude that the potential energy surface used in the present study may be a better one and is recommended to be employed in further dynamical calculations.

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