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Institution Date Title Author
國立交通大學 2020-10-05T02:01:59Z The absorption and fluorescence spectra of 4-(3-methoxybenzylidene)-2-methyl-oxazalone interpreted by Franck-Condon simulation in various pH solvent environments Peng, Ya-Jing; Su, Hang; Zhu, Chaoyuan; Lin, Sheng-Hsien; Liu, Yu-Hui
國立交通大學 2020-10-05T02:01:07Z Electronic States and Nonradiative Decay of Cold Gas-Phase Cinnamic Acid Derivatives Studied by Laser Spectroscopy with a Laser-Ablation Technique Iida, Yuji; Kinoshita, Shin-nosuke; Kenjo, Seiya; Muramatsu, Satoru; Inokuchi, Yoshiya; Zhu, Chaoyuan; Ebata, Takayuki
國立交通大學 2020-07-01T05:22:10Z Photorelaxation Pathways of 4-(N,N-Dimethylamino)-4 '-nitrostilbene Upon S-1 Excitation Revealed by Conical Intersection and Intersystem Crossing Networks He, Ziyue; Xue, Ruidi; Lei, Yibo; Yu, Le; Zhu, Chaoyuan
國立交通大學 2020-07-01T05:22:04Z Quantum yields of singlet and triplet chemiexcitation of dimethyl 1,2-dioxetane: ab initio nonadiabatic molecular dynamic simulations Yue, Ling; Yu, Le; Xu, Chao; Zhu, Chaoyuan; Liu, Yajun
國立交通大學 2020-05-05T00:02:24Z Extremely solvent-enhanced absorbance and fluorescence of carbazole interpreted using a damped Franck-Condon simulation Wang, Chen-Wen; Zhu, Chaoyuan; Lin, Sheng Hsien
國立交通大學 2020-03-02T03:23:24Z Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical Response Li, Bo; Sathishkumar, Palanivel; Gu, Feng Long; Zhu, Chaoyuan
國立交通大學 2020-02-20 Electronic State and Photophysics of 2-Ethylhexyl-4-methoxycinnamate as UV-B Sunscreen under Jet-Cooled Condition Ebata, Takayuki; Zhu, Chaoyuan; Inokuchi, Yoshiya; Onitsuka, Yuuki; Kohguchi, Hiroshi; Kinoshita, Shin-nosuke; Muramatsu, Satoru; Nakayama, Shingo
國立交通大學 2020-01-02T00:04:22Z Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization Ye, Linfeng; Xu, Chao; Gu, Feng Long; Zhu, Chaoyuan
國立交通大學 2019-08-02T02:18:37Z First-principles study on sum-frequency generation spectroscopy of methanol adsorbed on TiO2(110) surface: Effects of substrate and molecular coverages Shen, Zhitao; Lin, Chih-Kai; Zhu, Chaoyuan; Lin, Sheng Hsien
國立交通大學 2019-08-02T02:18:26Z A nonlinear optical switch induced by an external electric field: inorganic alkaline-earth alkalide Li, Bo; Peng, Daoling; Gu, Feng Long; Zhu, Chaoyuan
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
國立交通大學 2019-04-02T06:00:13Z Ab initio studies of excited electronic state S-2 of pyrazine and Franck-Condon simulation of its absorption spectrum He, Rongxing; Zhu, Chaoyuan; Chin, Chih-Hao; Lin, Sheng Hsien
國立交通大學 2019-04-02T05:58:53Z Anharmonic Franck-Condon Simulation of the Absorption and Fluorescence Spectra for the Low-Lying S-1 and S-2 Excited States of Pyridine Wang, Huan; Zhu, Chaoyuan; Yu, Jian-Guo; Lin, Sheng Hsien
國立交通大學 2019-04-02T05:58:49Z A QUASICLASSICAL TRAJECTORY STUDY OF REACTIVE SCATTERING ON AN ANALYTICAL POTENTIAL ENERGY SURFACE FOR GeH2 SYSTEM Zhang, Li; Zhu, Chao-Yong; Jiang, Gang; Zhu, Chaoyuan; Zhu, Z. H.
國立交通大學 2019-04-02T05:58:15Z A 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
國立交通大學 2019-04-02T05:58:00Z Photocatalytic water splitting of (F, Ti) codoped heptazine/triazine based g-C3N4 heterostructure: A hybrid DFT study Zhao, Yali; Lin, Yanming; Wang, Guanshi; Jiang, Zhenyi; Zhang, Ruiqin; Zhu, Chaoyuan

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