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顯示 23 到 42 筆資料，總共 84 筆 < 上一頁   下一頁 >
公開日期標題作者
23-二月-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
6-八月-2012Enhanced optical absorption and photocatalytic activity of anatase TiO2 through (Si,Ni) codopingLin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Fan, Jun; 應用化學系分子科學碩博班; Institute of Molecular science
13-四月-2017Enhanced optical absorption and photocatalytic H-2 production activity of g-C3N4/TiO2 heterostructure by interfacial coupling: A DFT plus U studyLin, Yanming; Shi, Hailong; Jiang, Zhenyi; Wang, Guanshi; Zhang, Xiaodong; Zhu, Haiyan; Zhang, Ruiqin; Zhu, Chaoyuan; 應用化學系分子科學碩博班; Institute of Molecular science
25-七月-2019Enhanced photovoltaic performance of dye-sensitized solar cells by the adsorption of Zn-porphyrin dye molecule on TiO2 surfacesLin, Yanming; Zhu, Chaoyuan; Jiang, Zhenyi; Zhao, Yali; Wang, Qi; Zhang, Ruiqin; 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
8-十二月-2011Excited State ab Initio and Franck-Condon Simulation of S(1) -> S(0) Fluorescence Excitation Spectra of p-, m-, and o-DifluorobenzenesYang, Qianliu; He, Rongxing; Shen, Wei; Li, Huabing; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
8-十二月-2011Excited State ab Initio and Franck-Condon Simulation of S-1 -> S-0 Fluorescence Excitation Spectra of p-, m-, and o-DifluorobenzenesYang, Qianliu; He, Rongxing; Shen, Wei; Li, Huabing; Li, Ming; Zhu, Chaoyuan; 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
21-五月-2017Excited-state E -> Z photoisomerization mechanism unveiled by ab initio nonadiabatic molecular dynamics simulation for hemithioindigo-hemistilbeneYang, Meihong; Huo, Chunyan; Li, Anyang; Lei, Yibo; Yu, Le; Zhu, Chaoyuan; 應用化學系分子科學碩博班; Institute of Molecular science
21-九月-2018An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulationXu, Chao; Gu, Feng Long; Zhu, Chaoyuan; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
2013Exploring the role of varied-length spacers in charge transfer: a theoretical investigation on pyrimidine-bridged porphyrin dyesGuo, Meiyuan; Li, Ming; Dai, Yulan; Shen, Wei; Peng, Jingdong; Zhu, Chaoyuan; Lin, Sheng Hsien; He, Rongxing; 應用化學系分子科學碩博班; Institute of Molecular science
14-三月-2020Extremely solvent-enhanced absorbance and fluorescence of carbazole interpreted using a damped Franck-Condon simulationWang, Chen-Wen; Zhu, Chaoyuan; Lin, Sheng Hsien; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
6-十二月-2018Facially Polarized Molecule for Alkalides and Superalkalides with Considerable Nonlinear Optical ResponseLi, Bo; Peng, Daoling; 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
14-五月-2019First-principles study on sum-frequency generation spectroscopy of methanol adsorbed on TiO2(110) surface: Effects of substrate and molecular coveragesShen, Zhitao; Lin, Chih-Kai; Zhu, Chaoyuan; Lin, Sheng Hsien; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
28-八月-2014Franck-Condon factors perturbed by damped harmonic oscillators: Solvent enhanced X (1)A(g) <-> A(1)B(1u) absorption and fluorescence spectra of peryleneWang, Chen-Wen; Yang, Ling; Zhu, Chaoyuan; Yu, Jian-Guo; Lin, Sheng-Hsien; 交大名義發表; 應用化學系分子科學碩博班; National Chiao Tung University; Institute of Molecular science
1-一月-2017Franck-Condon simulation for unraveling vibronic origin in solvent enhanced absorption and fluorescence spectra of rubreneHu, Ying; Wang, Chen-Wen; Zhu, Chaoyuan; Gu, Fenglong; 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
2017Franck-Condon simulation for unraveling vibronic origin in solvent enhanced absorption and fluorescence spectra of rubreneHu, Ying; Wang, Chen-Wen; Zhu, Chaoyuan; Gu, Fenglong; 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
7-三月-2011Franck-Condon simulation of the A (1)B(2) -> X (1)A(1) dispersed fluorescence spectrum of fluorobenzene and its rate of the internal conversionHe, Rongxing; Yang, Ling; Zhu, Chaoyuan; Yamaki, Masahiro; Lee, Yuan-Pern; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
7-三月-2011Franck-Condon simulation of the A B-1(2) -> X (1)A(1) dispersed fluorescence spectrum of fluorobenzene and its rate of the internal conversionHe, Rongxing; Yang, Ling; Zhu, Chaoyuan; Yamaki, Masahiro; Lee, Yuan-Pern; Lin, Sheng Hsien; 應用化學系分子科學碩博班; Institute of Molecular science
14-四月-2012Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effectsGuo, 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
1-一月-1970Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene PhotoisomerizationYe, Linfeng; Xu, Chao; Gu, Feng Long; Zhu, Chaoyuan; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
6-二月-2020Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical ResponseLi, Bo; Sathishkumar, Palanivel; 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
顯示 23 到 42 筆資料，總共 84 筆 < 上一頁   下一頁 >