Statistical investigations of the S(1D) plus HD reaction in the quantum regime

被引：3
作者：
Gonzalez-Lezana, Tomas [1 ]
Larregaray, Pascal [2 ,3 ]
Bonnet, Laurent [2 ,3 ]
机构：
[1] Inst Fis Fundamental IFF CSIC, Serrano 123, Madrid 28006, Spain
[2] Univ Bordeaux, Inst Sci Mol, F-33400 Talence, France
[3] CNRS, Inst Sci Mol, F-33400 Talence, France
来源：
CHEMICAL PHYSICS LETTERS | 2021年 / 763卷
关键词：
INSERTION REACTION; REACTION DYNAMICS; D-2; STATE; H-2;
D O I：
10.1016/j.cplett.2020.138228
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The dynamics of the Se (D-1)+HD reaction has been investigated in the low energy regime by means of a statistical quantum method and mean potential phase space theory. Statistical predictions for cross sections down to 10(-4) eV and the corresponding isotope branching ratios have thus been calculated and compared with previous results from the literature. Integral cross sections are also extended up to 0.2 eV to compare with experimental excitation functions reported in the past. Differences between theoretical and experimental branching ratios regarding the two possible product channels, SD+H and SH+D, are observed.
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页数：5
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