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Institution Date Title Author
國立交通大學 2018-08-21T05:53:14Z Methyl substitution enhanced photoisomerization of trans,trans-1,4-diphenyl-1,3-butadiene: direct ab initio trajectory surface hopping dynamic simulations Fan, Yueqian; Chen, Juan; Yu, Le; Li, Anyang; Zhai, Gaohong; Lei, Yibo; Zhu, Chaoyuan
國立交通大學 2017-04-21T06:56:30Z Photoisomerization mechanisms from trans, trans-1,4-diphenyl-1,3-butadiene: CASSCF on-the-fly trajectory surface hopping dynamic simulations Zheng, Xiaolei; Zhai, Gaohong; Gao, Wanqing; Lei, Yibo; Yu, Le; Zhu, Chaoyuan
國立交通大學 2017-04-21T06:56:08Z 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 2017-04-21T06:55:52Z Orientation hydrogen-bonding effect on vibronic spectra of isoquinoline in water solvent: Franck-Condon simulation and interpretation Liu, Yu-Hui; Wang, Shi-Ming; Wang, Chen-Wen; Zhu, Chaoyuan; Han, Ke-Li; Lin, Sheng-Hsien
國立交通大學 2016-03-28T00:04:23Z Photo-induced 1,3-cyclohexadiene ring opening reaction: Ab initio on-the-fly nonadiabatic molecular dynamics simulation Lei, Yibo; Wu, Huiyu; Zheng, Xiaolei; Zhai, Gaohong; Zhu, Chaoyuan
國立交通大學 2015-12-02T02:59:39Z Photoisomerization Reaction Mechanisms of o-Nitrophenol Revealed by Analyzing Intersystem Crossing Network at the MRCI Level Xu, Chao; Yu, Le; Zhu, Chaoyuan; Yu, Jianguo
國立交通大學 2015-12-02T02:59:14Z Probing the pi -> pi* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation Yu, Le; Xu, Chao; Zhu, Chaoyuan
國立交通大學 2015-12-02T02:59:11Z Intersystem Crossing Pathway in Quinoline-Pyrazole Isomerism: A Time-Dependent Density Functional Theory Study on Excited-State Intramolecular Proton Transfer Liu, Yu-Hui; Lan, Sheng-Cheng; Zhu, Chaoyuan; Lin, Sheng-Hsien
國立交通大學 2015-11-26T01:02:10Z 金屬催化苯基苯胺與丙烯酸酯偶合及理論計算探討 陳午寅; Chen, Wu-Yin; 朱超原; 莊士卿; Zhu, Chaoyuan; Chuang, Shih-Ching
國立交通大學 2015-11-26T00:55:12Z 二氧化硫與其氖錯合物的理論磷光光譜探討 林雨德; Lin, Yu-De; 朱超原; Zhu, Chaoyuan

Showing items 41-50 of 86  (9 Page(s) Totally)
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