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Mode Selectivity for a "Central" Barrier Reaction: Eight-Dimensional Quantum Studies of the O(P-3)+CH4 -> OH+CH3 Reaction on an Ab Initio Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2012, 卷号: 3, 期号: 24, 页码: 3776-3780
作者:  Liu, Rui;  Yang, Minghui;  Czako, Gabor;  Bowman, Joel M.;  Li, Jun
收藏  |  浏览/下载:20/0  |  提交时间:2015/06/25
Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 22
作者:  Barbatti, Mario;  Lan, Zhenggang;  Crespo-Otero, Rachel;  Szymczak, Jaroslaw J.;  Lischka, Hans
收藏  |  浏览/下载:16/0  |  提交时间:2015/11/02
Imaging the O(D-1)+CD4 -> OD+CD3 reaction dynamics: Probing vibrationally and rotationally excited CD3 products 期刊论文
journal of chemical physics, 2012, 卷号: 137, 期号: 22
作者:  Shuai, Quan;  Pan, Huilin;  Yang, Jiayue;  Zhang, Dong;  Jiang, Bo
收藏  |  浏览/下载:10/0  |  提交时间:2015/11/09
Correlated High-Frequency Molecular Motions in Neat Liquid Probed with Ultrafast Overtone Two-Dimensional Infrared Spectroscopy 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2012, 卷号: 3, 期号: 23, 页码: 3665-3670
作者:  Li, Donghai;  Yang, Fan;  Han, Chen;  Zhao, Juan;  Wang, Jianping
收藏  |  浏览/下载:8/0  |  提交时间:2019/04/09
Correlated High-Frequency Molecular Motions in Neat Liquid Probed with Ultrafast Overtone Two-Dimensional Infrared Spectroscopy 期刊论文
journal of physical chemistry letters, 2012, 卷号: 3, 期号: 23, 页码: 3665-3670
作者:  Li, Donghai;  Yang, Fan;  Han, Chen;  Zhao, Juan;  Wang, Jianping
收藏  |  浏览/下载:12/0  |  提交时间:2015/11/13
Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene 期刊论文
journal of chemical physics, 2012, 卷号: 137, 期号: 20, 页码: 2043051
作者:  Gao, Ai-Hua;  Li, Bin;  Zhang, Pei-Yu;  Han, Ke-Li
收藏  |  浏览/下载:11/0  |  提交时间:2013/10/11
Amorphous structure melt-quenched from defective Ge2Sb2Te5 期刊论文
http://dx.doi.org/10.1007/s10853-012-6607-8, 2012
Sun, Zhimei; 孙志梅
收藏  |  浏览/下载:6/0  |  提交时间:2015/07/22
New Implementation of Semi-classical Dynamic Simulation on the Photoisomerization of cis- and trans-Isomers of Free Stilbene 期刊论文
ACTA CHIMICA SINICA, 2012, 卷号: 70, 页码: 1869-1876
作者:  Lei Yibo;  Zhu Chaoyuan;  Wen Zhenyi;  Lin Sheng-Hsien
收藏  |  浏览/下载:16/0  |  提交时间:2018/07/05
The investigation of nonadiabatic effects for the N+ND -> N-2+D reaction 期刊论文
international journal of quantum chemistry, 2012, 卷号: 112, 期号: 15, 页码: 2710-2714
作者:  Zhang, Ai-Jie;  He, Guo-Zhong
收藏  |  浏览/下载:15/0  |  提交时间:2015/11/12
Time-dependent Wave Packet Quantum Scattering Study of Reaction S(P-3)+H-2 -> HS+H on a New ab initio Potential Energy Surface (3)A ' 期刊论文
chinese journal of chemical physics, 2012, 卷号: 25, 期号: 3, 页码: 291-296
作者:  Lv, Shuang-jiang;  Zhang, Pei-yu;  He, Guo-zhong
收藏  |  浏览/下载:14/0  |  提交时间:2015/11/13


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