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Showing results 1 to 9 of 9
Issue DateTitleAuthor(s)
5-Apr-2019A 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; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
21-Sep-2018An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulationXu, Chao; Gu, Feng Long; Zhu, Chaoyuan; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
6-Dec-2018Facially Polarized Molecule for Alkalides and Superalkalides with Considerable Nonlinear Optical ResponseLi, Bo; Peng, Daoling; Gu, Feng Long; Zhu, Chaoyuan; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-Jan-1970Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene PhotoisomerizationYe, Linfeng; Xu, Chao; Gu, Feng Long; Zhu, Chaoyuan; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
6-Feb-2020Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical ResponseLi, Bo; Sathishkumar, Palanivel; Gu, Feng Long; Zhu, Chaoyuan; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
28-May-2019A nonlinear optical switch induced by an external electric field: inorganic alkaline-earth alkalideLi, Bo; Peng, Daoling; Gu, Feng Long; Zhu, Chaoyuan; 應用化學系分子科學碩博班; Institute of Molecular science
7-Oct-2018Probing the pi -> pi* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulationsXu, Chao; Yu, Le; Gu, Feng Long; Zhu, Chaoyuan; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
21-Sep-2017Remarkable 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; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
28-Feb-2018Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulationXu, Chao; Gu, Feng Long; Zhu, Chaoyuan; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
Showing results 1 to 9 of 9