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臺灣學術機構典藏系統 (Taiwan Academic Institutional Repository, TAIR)
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Showing items 51-75 of 86  (4 Page(s) Totally)
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Institution Date Title Author
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 Lin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhu, Haiyan; Zhang, Xiaodong; Fan, Jun; Lin, Sheng Hsien
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 Lin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Fan, Jun; Lin, Sheng Hsien
國立交通大學 2014-12-08T15:29:34Z Theoretical Study on Structure and Sum-Frequency Generation (SFG) Spectroscopy of Styrene-Graphene Adsorption System Lin, Chih-Kai; Shih, Chun-Chi; Niu, Yingli; Tsai, Min-Yeh; Shiu, Ying-Jen; Zhu, Chaoyuan; Hayashi, Michitoshi; Lin, Sheng Hsien
國立交通大學 2014-12-08T15:29:11Z Noncovalent interaction and its influence on excited-state behavior: A theoretical study on the mixed coaggregates of dicyanonaphthalene and pyrazoline Dai, Yulan; Guo, Meiyuan; Peng, Jingdong; Shen, Wei; Li, Ming; He, Rongxing; Zhu, Chaoyuan; Lin, Sheng Hsien
國立交通大學 2014-12-08T15:24:19Z Enhanced optical absorption and photocatalytic activity of anatase TiO2 through (Si,Ni) codoping Lin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Fan, Jun
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 Huang, Tsung-wei; Yang, Ling; Zhu, Chaoyuan; 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 Yang, Ling; Zhu, Chaoyuan; Yu, Jianguo; Lin, Sheng Hsien
國立交通大學 2014-12-08T15:22:55Z Franck-Condon simulation of the A B-1(2) -> X (1)A(1) dispersed fluorescence spectrum of fluorobenzene and its rate of the internal conversion He, Rongxing; Yang, Ling; Zhu, Chaoyuan; Yamaki, Masahiro; Lee, Yuan-Pern; Lin, Sheng Hsien
國立交通大學 2014-12-08T15:22:43Z Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects Guo, Meiyuan; He, Rongxing; Dai, Yulan; Shen, Wei; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien
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 Guo, Meiyuan; He, Rongxing; Dai, Yulan; Shen, Wei; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien
國立交通大學 2014-12-08T15:22:32Z Theoretical study on S-1(B-1(3u)) state electronic structure and absorption spectrum of pyrazine He RongXing; Zhu ChaoYuan; Chin Chih-Hao; Lin Sheng-Hsien

Showing items 51-75 of 86  (4 Page(s) Totally)
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