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Showing items 41-65 of 86 (4 Page(s) Totally)
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| 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 |
2017-04-21T06:56:08Z |
Franck-Condon simulation for unraveling vibronic origin in solvent enhanced absorption and fluorescence spectra of rubrene
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Hu, Ying; Wang, Chen-Wen; Zhu, Chaoyuan; Gu, Fenglong; 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 |
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 |
2015-12-02T02:59:39Z |
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 |
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 |
2015-12-02T02:59:11Z |
Intersystem Crossing Pathway in Quinoline-Pyrazole Isomerism: A Time-Dependent Density Functional Theory Study on Excited-State Intramolecular Proton Transfer
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Liu, Yu-Hui; Lan, Sheng-Cheng; Zhu, Chaoyuan; Lin, Sheng-Hsien |
| 國立交通大學 |
2015-11-26T01:02:10Z |
金屬催化苯基苯胺與丙烯酸酯偶合及理論計算探討
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陳午寅; Chen, Wu-Yin; 朱超原; 莊士卿; Zhu, Chaoyuan; Chuang, Shih-Ching |
| 國立交通大學 |
2015-11-26T00:55:12Z |
二氧化硫與其氖錯合物的理論磷光光譜探討
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林雨德; Lin, Yu-De; 朱超原; 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 |
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 |
2014-12-08T15:42:09Z |
Theoretical study on S(1)((1)B(3u)) state electronic structure and absorption spectrum of pyrazine
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He RongXing; Zhu ChaoYuan; Chin Chih-Hao; Lin Sheng-Hsien |
| 國立交通大學 |
2014-12-08T15:40:06Z |
Analytical semiclassical theory for general non-adiabatic transition and tunneling
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Zhu, Chaoyuan |
| 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 |
2014-12-08T15:36:49Z |
Franck-Condon factors perturbed by damped harmonic oscillators: Solvent enhanced X (1)A(g) <-> A(1)B(1u) absorption and fluorescence spectra of perylene
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Wang, Chen-Wen; Yang, Ling; Zhu, Chaoyuan; Yu, Jian-Guo; Lin, Sheng-Hsien |
| 國立交通大學 |
2014-12-08T15:36:44Z |
A phenothiazine-based colorimetric chemodosimeter for the rapid detection of cyanide anions in organic and aqueous media
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Garg, Bhaskar; Yan, Linyin; Bisht, Tanuja; Zhu, Chaoyuan; Ling, Yong-Chien |
| 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 |
| 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 |
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 |
2014-12-08T15:32:56Z |
Topology of conical/surface intersections among five low-lying electronic states of CO2: Multireference configuration interaction calculations
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Zhou, Bo; Zhu, Chaoyuan; Wen, Zhenyi; Jiang, Zhenyi; Yu, Jianguo; Lee, Yuan-Pern; Lin, Sheng Hsien |
| 國立交通大學 |
2014-12-08T15:32:36Z |
Exploring the role of varied-length spacers in charge transfer: a theoretical investigation on pyrimidine-bridged porphyrin dyes
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Guo, Meiyuan; Li, Ming; Dai, Yulan; Shen, Wei; Peng, Jingdong; Zhu, Chaoyuan; Lin, Sheng Hsien; He, Rongxing |
| 國立交通大學 |
2014-12-08T15:32:26Z |
DIELECTRIC CONSTANT AND SEEBECK COEFFICIENT FOR SEMICONDUCTORS: THERMODYNAMIC AND DFT STUDIES
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Tasi, Hsiu-Ya; Zhu, Chaoyuan |
| 國立交通大學 |
2014-12-08T15:32:23Z |
Electronic and optical performances of Si and Fe-codoped TiO2 nanoparticles: A photocatalyst for the degradation of methylene blue
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Lin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Fan, Jun; 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 |
Showing items 41-65 of 86 (4 Page(s) Totally)
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