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Showing items 6-30 of 86 (4 Page(s) Totally)
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| 國立交通大學 |
2020-03-02T03:23:24Z |
Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical Response
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Li, Bo; Sathishkumar, Palanivel; Gu, Feng Long; Zhu, Chaoyuan |
| 國立交通大學 |
2020-02-20 |
Electronic State and Photophysics of 2-Ethylhexyl-4-methoxycinnamate as UV-B Sunscreen under Jet-Cooled Condition
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Ebata, Takayuki; Zhu, Chaoyuan; Inokuchi, Yoshiya; Onitsuka, Yuuki; Kohguchi, Hiroshi; Kinoshita, Shin-nosuke; Muramatsu, Satoru; Nakayama, Shingo |
| 國立交通大學 |
2020-01-02T00:04:22Z |
Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization
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Ye, Linfeng; Xu, Chao; Gu, Feng Long; Zhu, Chaoyuan |
| 國立交通大學 |
2019-08-02T02:18:37Z |
First-principles study on sum-frequency generation spectroscopy of methanol adsorbed on TiO2(110) surface: Effects of substrate and molecular coverages
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Shen, Zhitao; Lin, Chih-Kai; Zhu, Chaoyuan; Lin, Sheng Hsien |
| 國立交通大學 |
2019-08-02T02:18:26Z |
A nonlinear optical switch induced by an external electric field: inorganic alkaline-earth alkalide
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Li, Bo; Peng, Daoling; Gu, Feng Long; Zhu, Chaoyuan |
| 國立交通大學 |
2019-06-03T01:08:29Z |
Enhanced photovoltaic performance of dye-sensitized solar cells by the adsorption of Zn-porphyrin dye molecule on TiO2 surfaces
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Lin, Yanming; Zhu, Chaoyuan; Jiang, Zhenyi; Zhao, Yali; Wang, Qi; Zhang, Ruiqin; Lin, Sheng Hsien |
| 國立交通大學 |
2019-04-03T06:42:38Z |
Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation
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Xu, Chao; Yu, Le; Zhu, Chaoyuan; Yu, Jianguo; Cao, Zexing |
| 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 |
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 |
2019-04-03T06:41:17Z |
Molecular Orbital Imaging of the Acetone S-2 Excited State Using Time-Resolved (e, 2e) Electron Momentum Spectroscopy
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Yamazaki, Masakazu; Oishi, Keiya; Nakazawa, Hiroyuki; Zhu, Chaoyuan; Takahashi, Masahiko |
| 國立交通大學 |
2019-04-03T06:36:26Z |
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 |
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 |
2019-04-02T06:00:45Z |
An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulation
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Xu, Chao; Gu, Feng Long; 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 |
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 |
2019-04-02T06:00:13Z |
Ab initio studies of excited electronic state S-2 of pyrazine and Franck-Condon simulation of its absorption spectrum
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He, Rongxing; Zhu, Chaoyuan; Chin, Chih-Hao; Lin, Sheng Hsien |
| 國立交通大學 |
2019-04-02T05:58:53Z |
Anharmonic Franck-Condon Simulation of the Absorption and Fluorescence Spectra for the Low-Lying S-1 and S-2 Excited States of Pyridine
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Wang, Huan; Zhu, Chaoyuan; Yu, Jian-Guo; Lin, Sheng Hsien |
| 國立交通大學 |
2019-04-02T05:58:49Z |
A QUASICLASSICAL TRAJECTORY STUDY OF REACTIVE SCATTERING ON AN ANALYTICAL POTENTIAL ENERGY SURFACE FOR GeH2 SYSTEM
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Zhang, Li; Zhu, Chao-Yong; Jiang, Gang; Zhu, Chaoyuan; Zhu, Z. H. |
| 國立交通大學 |
2019-04-02T05:58:15Z |
A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)(n)](M = Be, Mg and Ca; n=1-3)
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Liang, Yan Ying; Li, Bo; Xu, Xuan; Gu, Feng Long; 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 |
2019-04-02T05:57:59Z |
Excited State ab Initio and Franck-Condon Simulation of S-1 -> S-0 Fluorescence Excitation Spectra of p-, m-, and o-Difluorobenzenes
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Yang, Qianliu; He, Rongxing; Shen, Wei; Li, Huabing; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien |
| 國立交通大學 |
2019-04-02T05:57:54Z |
Facially Polarized Molecule for Alkalides and Superalkalides with Considerable Nonlinear Optical Response
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Li, Bo; Peng, Daoling; Gu, Feng Long; Zhu, Chaoyuan |
| 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 |
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 |
| 國立交通大學 |
2018-08-21T05:54:23Z |
A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge
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Liu, Yu-Hui; Wang, Shi-Ming; Zhu, Chaoyuan; Lin, Sheng Hsien |
Showing items 6-30 of 86 (4 Page(s) Totally)
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