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
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

Quasi-classical Trajectory Study on the H++H2 Reaction

doi: 10.1360/cjcp2006.19(5).375.4
Funds:  This work was supported by the Chinese Academy of Sciences, the Ministry of Science and Technology and the National Natural Science Foundation of China (No.20328304, No.10574068, No.20533060 and No.20525313).
  • Received Date: 2005-10-31
  • 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.
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Quasi-classical Trajectory Study on the H++H2 Reaction

doi: 10.1360/cjcp2006.19(5).375.4
Funds:  This work was supported by the Chinese Academy of Sciences, the Ministry of Science and Technology and the National Natural Science Foundation of China (No.20328304, No.10574068, No.20533060 and No.20525313).

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.

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
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

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