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CORC

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Two-body fragmentation dynamics of N2Oq+ (q=2, 3) induced by electron-capture collisions with 5.7-keV/u Xe15+ 期刊论文
PHYSICAL REVIEW A, 2019, 卷号: 99, 页码: 012710
作者:  Chen, Lei;  Shan, Xu;  Zhao, Xi;  Zhu, Xiaolong;  Hu, Xiaoqing
收藏  |  浏览/下载：64/0  |  提交时间：2019/04/02
Photoinduced C-I bond homolysis of 5-iodouracil: A singlet predissociation pathway 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 2
作者:  Dai, Xiaojuan;  Song, Di;  Liu, Kunhui;  Su, Hongmei
收藏  |  浏览/下载：16/0  |  提交时间：2018/01/12
The ground state and low-lying excited states of CCCN radical and its ions: a CASSCF/CASPT2 study 期刊论文
CANADIAN JOURNAL OF PHYSICS, 2016, 卷号: 94, 期号: 9, 页码: 803-807
Yu, AY
收藏  |  浏览/下载：15/0  |  提交时间：2016/12/28
Potential Energy Surfaces for the First Two Lowest-Lying Electronic States of the LiH2+ System, and Dynamics of the H+ + LiH reversible arrow H-2(+) + Li + Reactions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 期号: 15, 页码: 2459-2470
作者:  Hayat, Tasawar;  He, Xiaohu;  Lv, Shuangjiang;  Han, Keli
收藏  |  浏览/下载：13/0  |  提交时间：2019/06/20
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016
Liu, Lihong; Liu, Jian; Martinez, Todd J.
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Landscapes of Four-Enantiomer Conical Intersections for Photoisomerization of Stilbene: CASSCF Calculation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 页码: 9021-9031
作者:  Lei, Yibo;  Yu, Le;  Zhou, Bo;  Zhu, Chaoyuan;  Wen, Zhenyi
收藏  |  浏览/下载：18/0  |  提交时间：2018/07/05
The Photoisomerization of 11-cis-Retinal Protonated Schiff Base in Gas Phase: Insight from Spin-Flip Density Functional Theory 期刊论文
journal of computational chemistry, 2014, 卷号: 35, 期号: 2, 页码: 109-120
作者:  Zhou, Panwang;  Liu, Jianyong;  Han, Keli;  He, Guozhong
收藏  |  浏览/下载：25/0  |  提交时间：2015/11/16
Ab initio MRCI plus Q Investigations of Spectroscopic Properties of Several Low-lying Electronic States of S-2(+) Cation 期刊论文
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2014, 卷号: 35, 期号: 5, 页码: 1397
Li, R; Zha, Z; Zhang, XM; Liu, T; Jin, MX; Xu, HF; Yan, B
收藏  |  浏览/下载：18/0  |  提交时间：2015/04/14
A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin 期刊论文
http://dx.doi.org/10.1063/1.4885845, 2014
Li, Junfeng; Rinkevicius, Zilvinas; Cao, Zexing; 曹泽星
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
An efficient algorithm for complete active space valence bond self-consistent field calculation 期刊论文
http://dx.doi.org/10.1002/jcc.23103, 2013
Song, J. S.; Chen, Z. H.; Shaik, S.; Wu, W.; 吴玮
收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12

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