标题:Study of the dynamics and isotopic effects in the D + MgD reaction using the quasi-classical trajectory method
作者:Huang, Zhuoyao ;Li, Rui ;Ge, Meihua ;Zheng, Yujun ;Meng, Xiangjia ;Yang, Huan
作者机构:[Huang, Zhuoyao ;Li, Rui ;Ge, Meihua ;Zheng, Yujun ;Yang, Huan ] School of Physics, Shandong University, Jinan; 250100, China;[Meng, Xiangjia ] School 更多
通讯作者:Yang, Huan
来源:Chemical Physics Letters
出版年:2017
卷:685
页码:229-238
DOI:10.1016/j.cplett.2017.07.076
摘要:The dynamics of the D + MgD reaction at low collision energies are conducted in quasi-classical trajectory method (QCT) on three reaction channels, namely nonreactive, D abstraction, and D exchange. Isotopic effects between D + MgD and H + MgH reactions are included mainly in the exchange channel involving both direct and roaming mechanisms. The integral cross sections (ICSs), differential cross sections (DCSs) and state distributions at collision energies ranging from 1 to 9 kcal/mol are presented to show the dynamics and isotopic effects. Important difference can be found in the ro-vibrational state distributions between MgD2and MgH2systems.
© 2017 Elsevier B.V.
收录类别:EI
资源类型:期刊论文
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