期刊
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 723, 期 1-3, 页码 189-194出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2005.03.006
关键词
reaction dynamics; wavepacket study; S plus HD
The time-dependent real wave packet method has been used to study S(D-1) + HD reaction. State-to-state and state-to-all reactive scattering probabilities for a broad range of energy are calculated at zero total angular momentum. The probabilities for J> 0 are estimated from accurately computed J=0 probabilities by using J-shifting approximation. The integral cross-sections are calculated for a large energy range. © 2005 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据