Quasi-classical Trajectory Study on the H++H2 Reaction
- Received Date: 2005-10-31
Abstract: Quasi-classical trajectory (QCT) calculations on the H++H2 reaction system were carried out on a new potential energy surface (PES). Theoretical calculations show that the angular distribution of the forward and backward products is roughly symmetric for the title reaction. The product rotational state distribution was also determined at a few collision energies. In the collision energy range from 0.124 eV to 1.424 eV, the integral cross section for this system monotonically decreases with the collision energy. A comparison with the experimental result of the ion-molecule reaction was also made, the agreement is generally good.
|Citation:||Hui Song, Xiu-yan Wang, Rex. T. Skodje, Xue-ming Yang. Quasi-classical Trajectory Study on the H++H2 Reaction[J]. Chinese Journal of Chemical Physics , 2006, 19(5): 375-378. doi: 10.1360/cjcp2006.19(5).375.4|