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Showing items 51-75 of 86 (4 Page(s) Totally)
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| 國立交通大學 |
2018-08-21T05:54:03Z |
Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation
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Gan, Yanzhen; Yue, Ling; Guo, Xugeng; Zhu, Chaoyuan; Cao, Zexing |
| 國立交通大學 |
2015-07-21T08:29:49Z |
Multicomponent Reactions of Phosphines, Enynedioates and Cinnamaldimines Give gamma-Lactams with a 1,3,5-Hexatriene Moiety for Facile 6 pi Electrocyclization: Access to Oxindoles, Isatins and Isoxazolinones
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Deng, Jie-Cheng; Chen, Wu-Yin; Zhu, Chaoyuan; Chuang, Shih-Ching |
| 國立交通大學 |
2014-12-08T15:29:11Z |
Noncovalent interaction and its influence on excited-state behavior: A theoretical study on the mixed coaggregates of dicyanonaphthalene and pyrazoline
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Dai, Yulan; Guo, Meiyuan; Peng, Jingdong; Shen, Wei; Li, Ming; He, Rongxing; Zhu, Chaoyuan; Lin, Sheng Hsien |
| 國立交通大學 |
2014-12-08T15:13:21Z |
Nonlinear responses of degenerate two-level systems to intense few-cycle pulses
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Nagaya, Kuninobu; Zhu, Chaoyuan; Lin, Sheng Hsien |
| 國立交通大學 |
2017-04-21T06:55:52Z |
Orientation hydrogen-bonding effect on vibronic spectra of isoquinoline in water solvent: Franck-Condon simulation and interpretation
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Liu, Yu-Hui; Wang, Shi-Ming; Wang, Chen-Wen; Zhu, Chaoyuan; Han, Ke-Li; Lin, Sheng-Hsien |
| 國立交通大學 |
2019-04-02T06:00:32Z |
Performance of TDDFT with and without spin-flip in trajectory surface hopping dynamics: cis-trans azobenzene photoisomerization
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Yue, Ling; Liu, Yajun; 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 |
2019-04-02T05:58:00Z |
Photocatalytic water splitting of (F, Ti) codoped heptazine/triazine based g-C3N4 heterostructure: A hybrid DFT study
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Zhao, Yali; Lin, Yanming; Wang, Guanshi; Jiang, Zhenyi; Zhang, Ruiqin; 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 |
2015-12-02T02:59:39Z |
Photoisomerization Reaction Mechanisms of o-Nitrophenol Revealed by Analyzing Intersystem Crossing Network at the MRCI Level
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Xu, Chao; Yu, Le; Zhu, Chaoyuan; Yu, Jianguo |
| 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 |
2015-12-02T02:59:14Z |
Probing the pi -> pi* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation
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Yu, Le; Xu, Chao; Zhu, Chaoyuan |
| 國立交通大學 |
2019-04-02T06:00:32Z |
Probing the pi -> pi* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulations
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Xu, Chao; Yu, Le; Gu, Feng Long; Zhu, Chaoyuan |
| 國立交通大學 |
2014-12-08T15:33:16Z |
Quantum Chemical Calculations of Intramolecular Vibrational Redistribution and Energy Transfer of Dipeptides (GlyTyr and LeuTyr) and Applications to the RRKM Theory
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Yang, Ling; Niu, Yingli; Zhu, Chaoyuan; Fujimura, Yuichi; Shiu, Yingjen; Yu, Jian-Guo; Lin, Sheng-Hsien |
| 國立交通大學 |
2020-07-01T05:22:04Z |
Quantum yields of singlet and triplet chemiexcitation of dimethyl 1,2-dioxetane: ab initio nonadiabatic molecular dynamic simulations
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Yue, Ling; Yu, Le; Xu, Chao; Zhu, Chaoyuan; Liu, Yajun |
| 國立交通大學 |
2018-08-21T05:54:31Z |
Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M-(C2NH5)(n)
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Li, Bo; Xu, Chao; Xu, Xuan; Zhu, Chaoyuan; Gu, Feng Long |
| 國立交通大學 |
2019-04-03T06:42:27Z |
Restoring electronic coherence/decoherence for a trajectory-based nonadiabatic molecular dynamics
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Zhu, Chaoyuan |
| 國立交通大學 |
2018-08-21T05:53:49Z |
TDDFT studies for electronic excitations of the intermediates and radicals in the pyrolysis of 2,5-dimethylfuran
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Li, Yuanyuan; Cao, Zexing; Zhu, Chaoyuan |
| 國立交通大學 |
2020-10-05T02:01:59Z |
The absorption and fluorescence spectra of 4-(3-methoxybenzylidene)-2-methyl-oxazalone interpreted by Franck-Condon simulation in various pH solvent environments
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Peng, Ya-Jing; Su, Hang; Zhu, Chaoyuan; Lin, Sheng-Hsien; Liu, Yu-Hui |
| 國立交通大學 |
2018-08-21T05:54:12Z |
The electronic structure, optical absorption and photocatalytic water splitting of (Fe plus Ni)-codoped TiO2: A DFT + U study
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Lin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Zhang, Ruiqin; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Lin, Sheng Hsien |
| 國立交通大學 |
2014-12-08T15:30:40Z |
The optical absorption and hydrogen production by water splitting of (Si,Fe)-codoped anatase TiO2 photocatalyst
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Lin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhu, Haiyan; Zhang, Xiaodong; Fan, Jun; Lin, Sheng Hsien |
| 國立交通大學 |
2014-12-08T15:21:01Z |
The Role of the n pi* (1)A(u) State in the Photoabsorption and Relaxation of Pyrazine
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Lin, Chih-Kai; Niu, Yingli; Zhu, Chaoyuan; Shuai, Zhigang; Lin, Sheng Hsien |
| 國立交通大學 |
2014-12-08T15:35:14Z |
The structure, electronic, and optical properties of (Sm,N)-codoped anatase TiO2 photocatalyst: A density functional study
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Lin, Yanming; Jiang, Zhenyi; Zhang, Ruiqin; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan |
| 國立交通大學 |
2019-04-02T06:00:47Z |
Theoretical Studies on Catalysis Mechanisms of Serum Paraoxonase 1 and Phosphotriesterase Diisopropyl Fluorophosphatase Suggest the Alteration of Substrate Preference from Paraoxonase to DFP
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Zhang, Hao; Yang, Ling; Ma, Ying-Ying; Zhu, Chaoyuan; Lin, Shenghsien; Liao, Rong-Zhen |
| 國立交通大學 |
2018-08-21T05:54:28Z |
Theoretical study of the substituent effect controlling the radiative and non-radiative decay processes of platinum(II) complexes
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Shen, Wei; Zhang, Wenting; Zhu, Chaoyuan |
Showing items 51-75 of 86 (4 Page(s) Totally)
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