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The dynamics of the C(1 D)+H2/D2/HD reactions at low temperature

AuthorsGonzález-Lezana, Tomás ; Larrégaray, P.; Bonnet, L.; Wu, Y.; Bian, W.
Issue Date21-Jun-2018
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 148: 23 (2018)
AbstractWe present results of a theoretical investigation on the dynamics of the C(D)+H reaction and the corresponding isotopic variants in which the carbon atom collides either with D or HD. Statistical techniques have been tested in comparison with the recent experimental information at low temperature (T < 300 K) and exact quantum mechanical calculations reported on the title reactions in an attempt to establish their possible complex-forming character. Our study includes the calculation of probabilities, rotational distributions, integral cross sections, differential cross sections, and rate constants. Previous quantum mechanical results have been extended here to complete the analysis of the underlying mechanisms which govern the collision process.
Description8 pags., 10 figs., 2 tabs.
Publisher version (URL)https://doi.org/10.1063/1.5026454
Identifiersdoi: 10.1063/1.5026454
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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