Dynamic behavior of system HCl + H on BW2, and G3 potential energy surfaces (PESs) has been simulated, using 3D and TD quantum scattering theory. The calculated results show that vibrational state of HCl influences its reaction probabilities greatly, the feature of PESs plays considerable role for how rotational state affecting its reaction probabilities, and the reaction probabilities appear 'Gold Rule' . In addition, the reaction has almost the same properties on BW2 and mBW2 PESs. However, the reaction probabilities on G3 PES are lower than on BW2, mBW2 because its barrier is higher.

Key words: THREE-DIMENSIONAL, POTENTIAL ENERGY SURFACES, DYNAMICS