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Institution Date Title Author
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
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

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