Study of the dynamics and isotopic effects in the D + MgD reaction using the quasi-classical trajectory method
作者： Zhuoyao Huang , Rui Li , Meihua Ge , Yujun Zheng , Xiangjia Meng
DOI: 10.1016/J.CPLETT.2017.07.076
关键词:
摘要: Abstract The dynamics of the D + MgD reaction at low collision energies are conducted in quasi-classical trajectory method (QCT) on three channels, namely nonreactive, D abstraction, and exchange. Isotopic effects between H + MgH reactions included mainly exchange channel involving both direct roaming mechanisms. integral cross sections (ICSs), differential (DCSs) state distributions ranging from 1 to 9 kcal/mol presented show isotopic effects. Important difference can be found ro-vibrational MgD2 MgH2 systems.
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