标题:Quasi-classical trajectory study of the stereodynamics of a Ne+H2+→ NeH++H reaction
作者:Ge, Mei-Hua ;Zheng, Yu-Jun
作者机构:[Ge, Mei-Hua ;Zheng, Yu-Jun ] School of Physics, Shandong University, Jinan 250100, China
通讯作者:Ge, MH
来源:Chinese Physics B
出版年:2011
卷:20
期:8
DOI:10.1088/1674-1056/20/8/083401
摘要:We have carried out a quasi-classical trajectory calculation for the reaction of Ne+H2+(ν = 0, j = 1) → NeH++H on the ground state (12A′) using the LZHH potential energy surface constructed by Lu¨ et al. [Lu¨ S J, Zhang P Y, Han K L and He G Z 2010 J. Chem. Phys. 132 014303]. Differential cross sections at many collision energies indicate that the reaction is dominated by forward-scattering. In addition, the NeH+ product shows rotationally hot and vibrationally cold distributions. Stereodynamical results indicate that the products are strongly polarized in the direction perpendicular to the scattering plane and that the products rotate mainly in planes parallel to the scattering plane. © 2011 Chinese Physical Society and IOP Publishing Ltd.
收录类别:EI
资源类型:期刊论文
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