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2010 – 2019
- 2011
[j5]Guang-Tao Yu, Xu-Ri Huang, Wei Chen, Chia-Chung Sun:
Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene). J. Comput. Chem. 32(9): 2005-2011 (2011)- [j4]Yin-Feng Wang, Wei Chen, Guang-Tao Yu, Zhi-Ru Li, Di Wu, Chia-Chung Sun:
Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e2@C60F60 systems. J. Comput. Chem. 32(9): 2012-2021 (2011) - 2010
- [j3]Guang-Tao Yu, Wei Chen, Feng Long Gu, Yuriko Aoki:
Theoretical study on nonlinear optical properties of the Li+[calix[4]pyrrole]Li-dimer, trimer and its polymer with diffuse excess electrons. J. Comput. Chem. 31(4): 863-870 (2010)
2000 – 2009
- 2009
- [j2]Hong-Liang Xu, Fang-Fang Wang, Zhi-Ru Li, Bing-Qiang Wang, Di Wu, Wei Chen, Guang-Tao Yu, Feng Long Gu, Yuriko Aoki:
The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube. J. Comput. Chem. 30(7): 1128-1134 (2009) - 2006
- [j1]Guang-Tao Yu, Xu-Ri Huang, Yi-Hong Ding, Chia-Chung Sun, Au-Chin Tang:
Theoretical study on the [Si, C, N, O] potential energy surface. J. Comput. Chem. 27(6): 749-761 (2006)
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