| 2011 |
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| 13 | 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). Guang-Tao Yu, Xu-Ri Huang, Wei Chen, Chia-Chung Sun. Journal of Computational Chemistry (32): 2005-2011 (2011). Web SearchBibTeXDownload |
| 12 | Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e2@C60F60 systems. Yin-Feng Wang, Wei Chen, Guang-Tao Yu, Zhi-Ru Li, Di Wu, Chia-Chung Sun. Journal of Computational Chemistry (32): 2012-2021 (2011). Web SearchBibTeXDownload |
| 2010 |
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| 11 | Excess electron is trapped in a large single molecular cage C60F60. Yin-Feng Wang, Zhi-Ru Li, Di Wu, Chia-Chung Sun, Feng Long Gu. Journal of Computational Chemistry (31): 195-203 (2010). Web SearchBibTeXDownload |
| 2009 |
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| 10 | CH3NHNH2 + OH reaction: Mechanism and dynamics studies. Hong-Xia Liu, Ying Wang, Lei Yang, Jing-Yao Liu, Hong Gao, Ze-Sheng Li, Chia-Chung Sun. Journal of Computational Chemistry (30): 2194-2204 (2009). Web SearchBibTeXDownload |
| 2007 |
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| 9 | Structural and electronic properties of boron-doped lithium clusters: Ab initio and DFT studies. Ying Li, Di Wu, Zhi-Ru Li, Chia-Chung Sun. Journal of Computational Chemistry (28): 1677-1684 (2007). Web SearchBibTeXDownload |
| 8 | Theoretical study on the methyl radical with chlorinated methyl radicals CH3-nCln (n = 1, 2, 3) and CCl2. Jian Wang, Yi-Hong Ding, Shao-Wen Zhang, Chia-Chung Sun. Journal of Computational Chemistry (28): 865-876 (2007). Web SearchBibTeXDownload |
| 7 | Theoretical study and rate constant calculation for reaction of CF3CH2OH with OH. Ying Wang, Jing-Yao Liu, Ze-Sheng Li, Li Wang, Chia-Chung Sun. Journal of Computational Chemistry (28): 802-810 (2007). Web SearchBibTeXDownload |
| 2006 |
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| 6 | Theoretical study on structures and stabilities of [H, Ge, C, N]. Qiang Wang, Yi-Hong Ding, Hong-Bin Xie, Chia-Chung Sun. Journal of Computational Chemistry (27): 505-514 (2006). Web SearchBibTeXDownload |
| 5 | Reaction mechanism of the CCN radical with nitric oxide. Lin Jin, Yi-Hong Ding, Jian Wang, Chia-Chung Sun. Journal of Computational Chemistry (27): 883-893 (2006). Web SearchBibTeXDownload |
| 4 | Gaseous reaction mechanism of C2F radical with water. Jian Wang, Yi-Hong Ding, Gong-Bing Wu, Chia-Chung Sun. Journal of Computational Chemistry (27): 363-367 (2006). Web SearchBibTeXDownload |
| 3 | Ab initio studies on isomers of macropolyhedral borane ions [B20H18]n (n = 0, -2, -4). Jian Zhang, Mingyu Zhang, Yuanyuan Zhao, Baoguo Chen, Chia-Chung Sun. Journal of Computational Chemistry (27): 1817-1821 (2006). Web SearchBibTeXDownload |
| 2 | Theoretical mechanistic study on the radical-molecule reactions of cyanomethylidyne with PH3, H2S, and HCl. Jian Wang, Yi-Hong Ding, Chia-Chung Sun. Journal of Computational Chemistry (27): 1756-1764 (2006). Web SearchBibTeXDownload |
| 1 | Monosilicon-substituted cyanoacetylene: A computational study. Li-Ming Yang, Yi-Hong Ding, Qiang Wang, Chia-Chung Sun. Journal of Computational Chemistry (27): 578-595 (2006). Web SearchBibTeXDownload |
