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题名: Photodissociation of ozone in the Hartley band: Fragment rotational quantum state distributions
作者: Zhao, MY;  Han, KL;  He, CZ;  Zhang, JZH
关键词: rotational state distributions ;  TDWP method ;  total angular momentum
刊名: JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
发表日期: 2004-09-01
卷: 3, 期:3, 页:443-449
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: In this paper, we have calculated the rotational state distributions following the photodissociation of ozone in the Hartley band with total angular momentum J' = 1. The calculated results are obtained by using time-dependent wave packet calculations on the Sheppard-Walker potential energy surface (PES). It is found that the physically more correct treatment with J' = 1 semi-quantitatively reproduces the rotational state distributions of the CARS. Compared with the previous theoretical works, which had taken J = 0 on both the ground and excited potential surface, X = I treatment makes the rotational distributions of the fragment closer to the experimental ones.
关键词[WOS]: DYNAMICS ;  NM ;  DISSOCIATION ;  SPECTROSCOPY
语种: 英语
WOS记录号: WOS:000224930200011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139520
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Computat Chem, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.NYU, Dept Chem, New York, NY 10003 USA
3.Nanjing Univ, Inst Theoret & Computat Chem, Nanjing 210093, Peoples R China

Recommended Citation:
Zhao, MY,Han, KL,He, CZ,et al. Photodissociation of ozone in the Hartley band: Fragment rotational quantum state distributions[J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,2004,3(3):443-449.
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