Ying Shi, Ting-xian Xie, Ming-xing Jin. Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy[J]. Chinese Journal of Chemical Physics , 2011, 24(4): 373-377. doi: 10.1088/1674-0068/24/04/373-377
Citation: Ying Shi, Ting-xian Xie, Ming-xing Jin. Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy[J]. Chinese Journal of Chemical Physics , 2011, 24(4): 373-377. doi: 10.1088/1674-0068/24/04/373-377

Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy

doi: 10.1088/1674-0068/24/04/373-377
Funds:  This work was supported by the Fund of Jilin Univer-sity (No.419080302440). Many thanks also to Professor Ke-li Han for providing the stereodynamics QCT code.
  • Received Date: 2011-05-26
  • Quasi-classical trajectory calculations have been employed to investigate the influence of collision energy on the stereodynamics of the title reaction C+CD→C2+D on the poten-tial energy surface of the 12A' state developed by Boggio-Pasqua et al. [Mol. Phys. 98, 1925 (2000)]. The product angular distributions which reflect the vector correlation have been calculated. In addition, two polarization-dependent different cross-sections are also presented in the center-of-mass frame respectively. The results indicate that the product C2 is sensitively affected by collision energy.
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Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy

doi: 10.1088/1674-0068/24/04/373-377
Funds:  This work was supported by the Fund of Jilin Univer-sity (No.419080302440). Many thanks also to Professor Ke-li Han for providing the stereodynamics QCT code.

Abstract: Quasi-classical trajectory calculations have been employed to investigate the influence of collision energy on the stereodynamics of the title reaction C+CD→C2+D on the poten-tial energy surface of the 12A' state developed by Boggio-Pasqua et al. [Mol. Phys. 98, 1925 (2000)]. The product angular distributions which reflect the vector correlation have been calculated. In addition, two polarization-dependent different cross-sections are also presented in the center-of-mass frame respectively. The results indicate that the product C2 is sensitively affected by collision energy.

Ying Shi, Ting-xian Xie, Ming-xing Jin. Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy[J]. Chinese Journal of Chemical Physics , 2011, 24(4): 373-377. doi: 10.1088/1674-0068/24/04/373-377
Citation: Ying Shi, Ting-xian Xie, Ming-xing Jin. Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy[J]. Chinese Journal of Chemical Physics , 2011, 24(4): 373-377. doi: 10.1088/1674-0068/24/04/373-377

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