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The Influence of Collision Energy on the Reaction H+HS→H2+S
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  • The Influence of Collision Energy on the Reaction H+HS→H2+S
  • The Influence of Collision Energy on the Reaction H+HS→H2+S
저자명
Liu. Yanlei,Zhai. Hongsheng,Zhu. Zunlue,Liu. Yufang
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2013년|34권 11호|pp.3350-3356 (7 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

Quasi-classical trajectory calculations have been carried out for the reaction H+HS by using the newest triplet 3A" potential energy surface (PES). The effects of the collision energy and reagent initial rotational excitation are studied. The cross sections and thermal rate constants for the title reaction are calculated. The results indicate that the integral cross sections (ICSs) are sensitive to the collision energy and almost independent to the initial rotational states. The ro-vibrational distributions for the product $H_2$ at different collision energies are presented. The investigations on the vector correlations are also performed. It is found that the collision energies play a postive role on the forward scatter of the product molecules. There is a negative influence on both the alignment and orientation of the product angular momentum for low collision energy at low energy region. Whereas the influence of collision energy is not obvious at high energy region.