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Showing items 1-10 of 10 (1 Page(s) Totally)
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| 國立交通大學 |
2020-07-01T05:22:10Z |
Photorelaxation Pathways of 4-(N,N-Dimethylamino)-4 '-nitrostilbene Upon S-1 Excitation Revealed by Conical Intersection and Intersystem Crossing Networks
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He, Ziyue; Xue, Ruidi; Lei, Yibo; Yu, Le; Zhu, Chaoyuan |
| 國立交通大學 |
2019-04-03T06:42:27Z |
Chiral conversion and periodical decay in bridged-azobenzene photoisomerization: an ab initio on-the-fly nonadiabatic dynamics simulation
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Gao, Wanqing; Yu, Le; Zheng, Xiaolei; Lei, Yibo; Zhu, Chaoyuan; Han, Huixian |
| 國立交通大學 |
2018-08-21T05:54:07Z |
Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis <-> Trans Azobenzene Photoisomerization
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Yue, Ling; Yu, Le; Xu, Chao; Lei, Yibo; Liu, Yajun; Zhu, Chaoyuan |
| 國立交通大學 |
2018-08-21T05:54:03Z |
Excited-state E -> Z photoisomerization mechanism unveiled by ab initio nonadiabatic molecular dynamics simulation for hemithioindigo-hemistilbene
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Yang, Meihong; Huo, Chunyan; Li, Anyang; Lei, Yibo; Yu, Le; Zhu, Chaoyuan |
| 國立交通大學 |
2018-08-21T05:53:14Z |
Methyl substitution enhanced photoisomerization of trans,trans-1,4-diphenyl-1,3-butadiene: direct ab initio trajectory surface hopping dynamic simulations
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Fan, Yueqian; Chen, Juan; Yu, Le; Li, Anyang; Zhai, Gaohong; Lei, Yibo; Zhu, Chaoyuan |
| 國立交通大學 |
2017-04-21T06:56:30Z |
Photoisomerization mechanisms from trans, trans-1,4-diphenyl-1,3-butadiene: CASSCF on-the-fly trajectory surface hopping dynamic simulations
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Zheng, Xiaolei; Zhai, Gaohong; Gao, Wanqing; Lei, Yibo; Yu, Le; Zhu, Chaoyuan |
| 國立交通大學 |
2016-03-28T00:04:23Z |
Photo-induced 1,3-cyclohexadiene ring opening reaction: Ab initio on-the-fly nonadiabatic molecular dynamics simulation
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Lei, Yibo; Wu, Huiyu; Zheng, Xiaolei; Zhai, Gaohong; Zhu, Chaoyuan |
| 國立交通大學 |
2015-07-21T11:20:34Z |
Trajectory-based nonadiabatic molecular dynamics without calculating nonadiabatic coupling in the avoided crossing case: trans <-> cis photoisomerization in azobenzene
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Yu, Le; Xu, Chao; Lei, Yibo; Zhu, Chaoyuan; Wen, Zhenyi |
| 國立交通大學 |
2014-12-08T15:36:56Z |
Landscapes of Four-Enantiomer Conical Intersections for Photoisomerization of Stilbene: CASSCF Calculation
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Lei, Yibo; Yu, Le; Zhou, Bo; Zhu, Chaoyuan; Wen, Zhenyi; Lint, Sheng Hsien |
| 國立交通大學 |
2014-12-08T15:36:38Z |
Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene
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Lei, Yibo; Wu, Shaomei; Zhu, Chaoyuan; Wen, Zhenyi; Lin, Sheng-Hsien |
Showing items 1-10 of 10 (1 Page(s) Totally)
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