期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 118, 期 33, 页码 6416-6424出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp501446y
关键词
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资金
- MICINN [FIS2011-29596-C02-01]
- Programme National de Physique et Chimie du Milieu Interstellaire (INSU/CNRS)
The D+ + H-2 reaction is investigated by means of a time independent quantum mechanical (TIQM) and statistical quantum mechanical (SQM) methods. Differential cross sections and product rotational distributions obtained with these two theoretical approaches for collision energies between 1 meV and 0.1 eV are compared to analyze the dynamics of the process. The agreement observed between the TIQM differential cross sections and the SQM predictions as the energy increases revealed the role played by the complex-forming mechanism. The importance of a good description of the asymptotic regions is also investigated by calculating rate constants for the title reaction at low temperature.
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