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Showing items 26-35 of 86  (9 Page(s) Totally)
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Institution Date Title Author
國立交通大學 2019-04-02T05:57:59Z Excited State ab Initio and Franck-Condon Simulation of S-1 -> S-0 Fluorescence Excitation Spectra of p-, m-, and o-Difluorobenzenes Yang, Qianliu; He, Rongxing; Shen, Wei; Li, Huabing; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien
國立交通大學 2019-04-02T05:57:54Z Facially Polarized Molecule for Alkalides and Superalkalides with Considerable Nonlinear Optical Response Li, Bo; Peng, Daoling; Gu, Feng Long; Zhu, Chaoyuan
國立交通大學 2018-08-21T05:54:31Z Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M-(C2NH5)(n) Li, Bo; Xu, Chao; Xu, Xuan; Zhu, Chaoyuan; Gu, Feng Long
國立交通大學 2018-08-21T05:54:28Z Theoretical study of the substituent effect controlling the radiative and non-radiative decay processes of platinum(II) complexes Shen, Wei; Zhang, Wenting; Zhu, Chaoyuan
國立交通大學 2018-08-21T05:54:23Z A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge Liu, Yu-Hui; Wang, Shi-Ming; Zhu, Chaoyuan; Lin, Sheng Hsien
國立交通大學 2018-08-21T05:54:15Z Benchmarking calculations of spectral densities for the diagonal and nondiagonal exciton-phonon coupling of tetracene crystal Zhang, Jin; Zhu, Chaoyuan; Liang, WanZhen
國立交通大學 2018-08-21T05:54:12Z The electronic structure, optical absorption and photocatalytic water splitting of (Fe plus Ni)-codoped TiO2: A DFT + U study Lin, Yanming; Jiang, Zhenyi; Zhu, Chaoyuan; Zhang, Ruiqin; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan; Lin, Sheng Hsien
國立交通大學 2018-08-21T05:54:07Z Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis <-> Trans Azobenzene Photoisomerization Yue, Ling; Yu, Le; Xu, Chao; Lei, Yibo; Liu, Yajun; Zhu, Chaoyuan
國立交通大學 2018-08-21T05:54:06Z Enhanced optical absorption and photocatalytic H-2 production activity of g-C3N4/TiO2 heterostructure by interfacial coupling: A DFT plus U study Lin, Yanming; Shi, Hailong; Jiang, Zhenyi; Wang, Guanshi; Zhang, Xiaodong; Zhu, Haiyan; Zhang, Ruiqin; Zhu, Chaoyuan
國立交通大學 2018-08-21T05:54:03Z Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation Gan, Yanzhen; Yue, Ling; Guo, Xugeng; Zhu, Chaoyuan; Cao, Zexing

Showing items 26-35 of 86  (9 Page(s) Totally)
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