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Stereo-dynamics of the exchange reaction HaWLiHb → LiHa+Hb and its isotopic variants
  • ISSN号:1674-1056
  • 期刊名称:《中国物理B:英文版》
  • 时间:0
  • 分类:O613.71[理学—无机化学;理学—化学] P597[天文地球—地球化学;天文地球—地质学]
  • 作者机构:[1]State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics,Chinese Academy of Science, Dalian 116023, China, [2]Department of Physics, Dalian Maritime University, Dalian 116026, China
  • 相关基金:Project supported by the National Natural Science Foundation of China (Grant No. 11105022) and the Fundamental Research Funds for the Central Universities (Grant Nos. 2011QN142 and 2012QN066).
中文摘要:

<正>The quasi-classical trajectory(QCT) method is used to calculate the stereo-dynamics of the exchange reaction H_a+LiH_b→LiH_a+H_b and its isotopic variants based on an accurate potential energy surface reported by Prudente et al.[Prudente F V,Marques J M C and Maniero A M 2009 Chem.Phys.Lett.474 18].The reactive probability of the title reaction is computed.The vector correlations and four polarization-dependent generalized differential cross sections(PDDCSs) at different collision energies are presented.The influences of the collision energy and the reagent rotation on the product polarization are studied in the present work.The results indicate that the product rotational angular momentum j’ is not only aligned,but also oriented along the direction perpendicular to the scattering plane. The product polarization distributions of the title reaction and its isotopic variants exhibit distinct differences which may arise from different mass combinations.

英文摘要:

The quasi-classical trajectory (QCT) method is used to calculate the stereo-dynamics of the exchange reaction Ha+LiHb→LiHa+Hb and its isotopic variants based on an accurate potential energy surface reported by Prudente et al. [Prudente F V, Marques J M C and Maniero A M 2009 Chem. Phys. Lett. 474 18]. The reactive probability of the title reaction is computed. The vector correlations and four polarization-dependent generalized differential cross sections (PDDCSs) at different collision energies are presented. The influences of the collision energy and the reagent rotation on the product polarization are studied in the present work. The results indicate that the product rotational angular momentum j′ is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The product polarization distributions of the title reaction and its isotopic variants exhibit distinct differences which may arise from different mass combinations.

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期刊信息
  • 《中国物理B:英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国物理学会和中国科学院物理研究所
  • 主编:欧阳钟灿
  • 地址:北京 中关村 中国科学院物理研究所内
  • 邮编:100080
  • 邮箱:
  • 电话:010-82649026 82649519
  • 国际标准刊号:ISSN:1674-1056
  • 国内统一刊号:ISSN:11-5639/O4
  • 邮发代号:
  • 获奖情况:
  • 国内外数据库收录:
  • 被引量:406