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教育部委託研究計畫      計畫執行:國立臺灣大學圖書館
 
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機構 日期 題名 作者
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 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 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 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 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 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 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 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 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 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 Yue, Ling; Liu, Yajun; Zhu, Chaoyuan

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