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机构 日期 题名 作者
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 2020-01-02T00:04:22Z 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 2019-08-02T02:18:26Z 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 2019-04-02T06:00:45Z 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 2019-04-02T05:58:15Z 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 2019-04-02T05:57:54Z 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 2018-08-21T05:53:24Z Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulation Xu, Chao; Gu, Feng Long; Zhu, Chaoyuan

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