Quantum wave-packet and quasi-classical trajectory studies of the reaction H(2S) + CH(X2(∏); v=0,j=1

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  The quantum mechanics (QM) and quasi-classical trajectory (QCT) calculations have been carried out for the title reaction with the ground minimal allowed rotational state of CH (j =1) on the 1 1A potential energy surface.For the reaction probability at total angular momentum J =0, a similar trend of the QM and QCT calculations is observed, and the QM results are larger than the latter almost in the whole considered energy range (0.1 ~ 1.5 eV).
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