The polarization dependent differential cross sections of the reactions: H + LiH+(v=0, j=0) → H2 + Li+ and H+ + LiH(v=0, j=0) → H2+ + Li

被引:8
|
作者
Li, Xiao Hu [1 ]
Wang, Mei Shan [1 ]
Yang, Chuan Lu [1 ]
Ma, Ling Zhi [1 ]
Ma, Ning [1 ]
Wu, Ji Cheng [1 ]
机构
[1] Ludong Univ, Sch Phys, Yantai 264025, Peoples R China
基金
中国国家自然科学基金;
关键词
Quasi-classical trajectory; PDDCSs; Stereodynamics; Vector correlation; PRODUCT ROTATIONAL POLARIZATION; ALIGNMENT; DYNAMICS; SURFACES; A+BC;
D O I
10.1016/j.cclet.2009.11.041
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Quasi-classical trajectory (QCT) calculations have been carried out to study the generalized polarization dependent differential cross sections (PDDCSs) for the reactions H + LiH+(v= 0, j= 0)-> H-2 + Li+ and H+ + LiH(v = 0, j = 0)-> H-2(+) + Li occurring on the two lowest-lying electronic states of the LiH2+ system, using the ab initio potential energy surfaces (PESs) of Martinazzo et al. [3]. Four PDDCSs, i.e., (2 pi/sigma)(d sigma(00)/d omega(t)), (2 pi/sigma)(d sigma(20)/d omega(t)), (2 pi/sigma)(d sigma(21)-/d omega(t)), (2 pi/sigma)(d sigma-(21)-/d omega(t),) have been discussed in detail. C) 2009 Mei Shan Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
引用
收藏
页码:376 / 378
页数:3
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