Browsing by Author Zhu, Chaoyuan

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Issue DateTitleAuthor(s)
7-Jul-2009Ab initio studies of excited electronic state S(2) of pyrazine and Franck-Condon simulation of its absorption spectrumHe, Rongxing; Zhu, Chaoyuan; Chin, Chih-Hao; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
7-Jul-2009Ab initio studies of excited electronic state S-2 of pyrazine and Franck-Condon simulation of its absorption spectrumHe, Rongxing; Zhu, Chaoyuan; Chin, Chih-Hao; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
10-Jul-2012Absorption and fluorescence spectra of the neutral and anionic green fluorescent protein chromophore: Franck-Condon simulationHuang, Tsung-wei; Yang, Ling; Zhu, Chaoyuan; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
14-Jul-2008Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamicsCheng, Shu Chun; Zhu, Chaoyuan; Liang, Kuo Kan; Lin, Sheng Hsien; Truhlar, Donald G.; 應用化學系分子科學碩博班; Institute of Molecular science
1-Oct-2009Analytical semiclassical theory for general non-adiabatic transition and tunnelingZhu, Chaoyuan; 應用化學系分子科學碩博班; Institute of Molecular science
31-Dec-2009Anharmonic Franck-Condon Simulation of the Absorption and Fluorescence Spectra for the Low-Lying S(1) and S(2) Excited States of PyridineWang, Huan; Zhu, Chaoyuan; Yu, Jian-Guo; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
31-Dec-2009Anharmonic Franck-Condon Simulation of the Absorption and Fluorescence Spectra for the Low-Lying S-1 and S-2 Excited States of PyridineWang, Huan; Zhu, Chaoyuan; Yu, Jian-Guo; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
25-May-2012Anharmonic Franck-Condon simulation of the absorption and fluorescence spectra for the low-lying S-1 and S-2 excited states of pyrimidineYang, Ling; Zhu, Chaoyuan; Yu, Jianguo; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
19-May-2017Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis <-> Trans Azobenzene PhotoisomerizationYue, Ling; Yu, Le; Xu, Chao; Lei, Yibo; Liu, Yajun; Zhu, Chaoyuan; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-Aug-2017Benchmarking calculations of spectral densities for the diagonal and nondiagonal exciton-phonon coupling of tetracene crystalZhang, Jin; Zhu, Chaoyuan; Liang, WanZhen; 應用化學系; Department of Applied Chemistry
2013C/B codoping effect on band gap narrowing and optical performance of TiO2 photocatalyst: a spin-polarized DFT studyLin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Fan, Jun; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
1-Jan-2016Chiral conversion and periodical decay in bridged-azobenzene photoisomerization: an ab initio on-the-fly nonadiabatic dynamics simulationGao, Wanqing; Yu, Le; Zheng, Xiaolei; Lei, Yibo; Zhu, Chaoyuan; Han, Huixian; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
2014Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of StilbeneLei, Yibo; Wu, Shaomei; Zhu, Chaoyuan; Wen, Zhenyi; Lin, Sheng-Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
5-Apr-2019A 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)Liang, Yan Ying; Li, Bo; Xu, Xuan; Gu, Feng Long; Zhu, Chaoyuan; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-Sep-2013DIELECTRIC CONSTANT AND SEEBECK COEFFICIENT FOR SEMICONDUCTORS: THERMODYNAMIC AND DFT STUDIESTasi, Hsiu-Ya; Zhu, Chaoyuan; 應用化學系分子科學碩博班; Institute of Molecular science
8-Feb-2018Dioxygen Activation by Iron Complexes: The Catalytic Role of Intersystem Crossing Dynamics for a Heme-Related ModelDu, Likai; Liu, Fang; Li, Yanwei; Yang, Zhongyue; Zhang, Qingzhu; Zhu, Chaoyuan; Gao, Jun; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
26-Apr-2012Electron-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 CellsGuo, Meiyuan; He, Rongxing; Dai, Yulan; Shen, Wei; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
1-Mar-2018Electronic and optical performances of (Cu, N) codoped TiO2/g-C3N4 heterostructure photocatalyst: A spin-polarized DFT plus U studyZhao, Yali; Lin, Yanming; Wang, Guanshi; Jiang, Zhenyi; Zhang, Ruiqin; Zhu, Chaoyuan; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-Oct-2013Electronic and optical performances of Si and Fe-codoped TiO2 nanoparticles: A photocatalyst for the degradation of methylene blueLin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Fan, Jun; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
23-Feb-2017The electronic structure, optical absorption and photocatalytic water splitting of (Fe plus Ni)-codoped TiO2: A DFT + U studyLin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Zhang, Ruiqin; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Lin, Sheng Hsien; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science