科研之友
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摘要
State-selected total cross sections and thermal rate coefficients are computed for the HD + ortho-/para-H-2 rotational energy transfer collision at low temperatures: 2 K less than or similar to T less than or similar to 300 K. A modified H-2-H-2 potential energy surface ( PES) devised by Hinde is used for this pure quantum-mechanical dynamical computation. A comparison of the new results for the HD + ortho-/para-H-2 scattering problem and previous calculations computed with the use of other older PESs is presented and discussed.
- 出版日期2016-1-14
- 单位Univ Estadual Paulista
