本文主要研究内容
作者温月佩,布仁巴雅尔,陈茂笃（2019）在《Non-adiabatic quantum dynamical studies of Na(3p) + HD(v = 1, j5) = 0)→NaH/NaD + D/H reaction》一文中研究指出：Non-adiabatic dynamical calculations are carried out for the Na(3 p)+HD(ν = 1, j = 0)→NaH/NaD+D/H reaction on the diabatic potential energy surfaces of Wang et al.(Sci. Rep. 2018, 8, 17960) by using the time-dependent wave packet method. The state-to-state integral cross sections and differential cross sections of two reaction channels(NaH/NaD+D/H)are calculated for collision energy up to 0.4 eV. The cross section branching ratio indicates that the dominant reaction channel changes from NaD+H to NaH+D when the collision energy is larger than 0.227 eV. The products from two reaction channels both prefer to form in vibrationally cold but rotationally hot states, and they both tend to forward scattering.
Abstract
Non-adiabatic dynamical calculations are carried out for the Na(3 p)+HD(ν = 1, j = 0)→NaH/NaD+D/H reaction on the diabatic potential energy surfaces of Wang et al.(Sci. Rep. 2018, 8, 17960) by using the time-dependent wave packet method. The state-to-state integral cross sections and differential cross sections of two reaction channels(NaH/NaD+D/H)are calculated for collision energy up to 0.4 eV. The cross section branching ratio indicates that the dominant reaction channel changes from NaD+H to NaH+D when the collision energy is larger than 0.227 eV. The products from two reaction channels both prefer to form in vibrationally cold but rotationally hot states, and they both tend to forward scattering.
论文参考文献
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论文作者分别是来自Chinese Physics B的温月佩,布仁巴雅尔,陈茂笃，发表于刊物Chinese Physics B2019年06期论文，是一篇关于,Chinese Physics B2019年06期论文的文章。本文可供学术参考使用，各位学者可以免费参考阅读下载，文章观点不代表本站观点，资料来自Chinese Physics B2019年06期论文网站，若本站收录的文献无意侵犯了您的著作版权，请联系我们删除。
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温月佩：Non-adiabatic quantum dynamical studies of Na(3p) + HD(v = 1, j5) = 0)→NaH/NaD + D/H reaction论文
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