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Taiwan Academic Institutional Repository >
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"zhu chaoyuan"
Showing items 1-25 of 86 (4 Page(s) Totally)
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| 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 |
2019-08-02T02:18:26Z |
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 |
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 |
2014-12-08T15:11:47Z |
A QUASICLASSICAL TRAJECTORY STUDY OF REACTIVE SCATTERING ON AN ANALYTICAL POTENTIAL ENERGY SURFACE FOR GeH(2) SYSTEM
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Zhang, Li; Zhu, Chao-Yong; Jiang, Gang; Zhu, Chaoyuan; Zhu, Z. H. |
| 國立交通大學 |
2019-04-02T05:58:49Z |
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 |
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 |
| 國立交通大學 |
2014-12-08T15:09:09Z |
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 |
2019-04-02T06:00:13Z |
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 |
2014-12-08T15:23:30Z |
Absorption and fluorescence spectra of the neutral and anionic green fluorescent protein chromophore: Franck-Condon simulation
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Huang, Tsung-wei; Yang, Ling; Zhu, Chaoyuan; Lin, Sheng Hsien |
| 國立交通大學 |
2014-12-08T15:11:12Z |
Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics
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Cheng, Shu Chun; Zhu, Chaoyuan; Liang, Kuo Kan; Lin, Sheng Hsien; Truhlar, Donald G. |
| 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 |
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 |
2014-12-08T15:08:02Z |
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 |
2019-04-02T05:58:53Z |
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 |
2014-12-08T15:23:13Z |
Anharmonic Franck-Condon simulation of the absorption and fluorescence spectra for the low-lying S-1 and S-2 excited states of pyrimidine
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Yang, Ling; Zhu, Chaoyuan; Yu, Jianguo; Lin, Sheng Hsien |
| 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 |
2018-08-21T05:54:15Z |
Benchmarking calculations of spectral densities for the diagonal and nondiagonal exciton-phonon coupling of tetracene crystal
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Zhang, Jin; Zhu, Chaoyuan; Liang, WanZhen |
| 國立交通大學 |
2014-12-08T15:29:58Z |
C/B codoping effect on band gap narrowing and optical performance of TiO2 photocatalyst: a spin-polarized DFT study
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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 |
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 |
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 |
2014-12-08T15:32:26Z |
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 |
2018-08-21T05:53:18Z |
Dioxygen Activation by Iron Complexes: The Catalytic Role of Intersystem Crossing Dynamics for a Heme-Related Model
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Du, Likai; Liu, Fang; Li, Yanwei; Yang, Zhongyue; Zhang, Qingzhu; Zhu, Chaoyuan; Gao, Jun |
| 國立交通大學 |
2014-12-08T15:22:42Z |
Electron-Deficient Pyrimidine Adopted in Porphyrin Sensitizers: A Theoretical Interpretation of pi-Spacers Leading to Highly Efficient Photo-to-Electric Conversion Performances in Dye-Sensitized Solar Cells
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Guo, Meiyuan; He, Rongxing; Dai, Yulan; Shen, Wei; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien |
| 國立交通大學 |
2018-08-21T05:53:25Z |
Electronic and optical performances of (Cu, N) codoped TiO2/g-C3N4 heterostructure photocatalyst: A spin-polarized DFT plus U study
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Zhao, Yali; Lin, Yanming; Wang, Guanshi; Jiang, Zhenyi; Zhang, Ruiqin; 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 |
Showing items 1-25 of 86 (4 Page(s) Totally)
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