2009 |
21 | EE | Hui Zhang,
Guiling Zhang,
Jing-Yao Liu,
Miao Sun,
Bo Liu,
Ze-Sheng Li:
Theoretical study on the reaction of SiH(CH3)3 with SiH3 radical.
Journal of Computational Chemistry 30(2): 236-242 (2009) |
20 | EE | Lei Yang,
Jing-Yao Liu,
Su-Qin Wan,
Ze-Sheng Li:
Theoretical studies of the reactions of CF3CHCLOCHF2/CF3CHFOCHF2 with OH radical and Cl atom and their product radicals with OH.
Journal of Computational Chemistry 30(4): 565-580 (2009) |
19 | EE | Li Wang,
Jing-Yao Liu,
Hong Gao,
Su-Qin Wan,
Ze-Sheng Li:
Dual-level direct dynamics studies for the reactions of OH radical with bromine-substituted ethanes.
Journal of Computational Chemistry 30(4): 611-620 (2009) |
2008 |
18 | EE | Yue-meng Ji,
Xiao-lei Zhao,
Jing-Yao Liu,
Ying Wang,
Ze-Sheng Li:
Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCln (n = 0-3) with the chlorine atom.
Journal of Computational Chemistry 29(5): 809-819 (2008) |
17 | EE | Hui Zhang,
Guiling Zhang,
Jing-Yao Liu,
Bo Liu,
Xiaoyang Yu,
Ze-Sheng Li:
Theoretical study on the OH + CH3NHC(O)OCH3 reaction.
Journal of Computational Chemistry 29(7): 1170-1176 (2008) |
2007 |
16 | EE | Ying Wang,
Jing-Yao Liu,
Ze-Sheng Li:
Ab initio direct dynamics studies on the reactions of chlorine atom with CH3-nFnCH2OH (n = 1-3).
Journal of Computational Chemistry 28(16): 2517-2530 (2007) |
15 | EE | Ying Wang,
Jing-Yao Liu,
Ze-Sheng Li,
Li Wang,
Chia-Chung Sun:
Theoretical study and rate constant calculation for reaction of CF3CH2OH with OH.
Journal of Computational Chemistry 28(4): 802-810 (2007) |
14 | EE | Yue-meng Ji,
Xiao-lei Zhao,
Ze-Sheng Li,
Jing-Yao Liu:
Kinetic mechanism of the hydrogen abstraction reactions of the chlorine atoms with CH3CF2Cl and CH3CFCl2: A dual level direct dynamics study.
Journal of Computational Chemistry 28(5): 975-983 (2007) |
13 | EE | Lei Yang,
Jing-Yao Liu,
Li Wang,
Hong-Qing He,
Ying Wang,
Ze-Sheng Li:
Theoretical study of the reactions CF3CH2OCHF2 + OH/Cl and its product radicals and parent ether(CH3CH2OCH3) with OH.
Journal of Computational Chemistry 29(4): 550-561 (2007) |
2006 |
12 | EE | Jia-Xu Zhang,
Ze-Sheng Li,
Jing-Yao Liu,
Chia-Chung Sun:
Theoretical mechanistic study on the radical-molecule reaction of CHCl2/CCl3 with NO2.
Journal of Computational Chemistry 27(5): 661-671 (2006) |
11 | EE | Jia-Xu Zhang,
Ze-Sheng Li,
Jing-Yao Liu,
Chia-Chung Sun:
Theoretical study on the mechanism of the CH2F + NO2 reaction.
Journal of Computational Chemistry 27(7): 894-905 (2006) |
2005 |
10 | EE | Hui Zhang,
Jia-Yan Wu,
Ze-Sheng Li,
Jing-Yao Liu,
Li Sheng,
Chia-Chung Sun:
Dual-level direct dynamics studies on the reaction Cl + CHBr2Cl.
Journal of Computational Chemistry 26(13): 1421-1426 (2005) |
9 | EE | Li Wang,
Jing-Yao Liu,
Ze-Sheng Li,
Chia-Chung Sun:
Theoretical study and rate constant calculation for the reactions of SH (SD) with Cl2, Br2, and BrCl.
Journal of Computational Chemistry 26(2): 184-193 (2005) |
8 | EE | Hong-Qing He,
Jing-Yao Liu,
Ze-Sheng Li,
Chia-Chung Sun:
Theoretical study for the reaction of CH3OCl with Cl atom.
Journal of Computational Chemistry 26(6): 642-650 (2005) |
7 | EE | Jia-Xu Zhang,
Jing-Yao Liu,
Ze-Sheng Li,
Chia-Chung Sun:
Theoretical study on the reaction mechanism of the methyl radical with nitrogen oxides.
Journal of Computational Chemistry 26(8): 807-817 (2005) |
2004 |
6 | EE | Li Sheng,
Ze-Sheng Li,
Jing-Yao Liu,
Jing-Fa Xiao,
Chia-Chung Sun:
Ab initio direct dynamics studies on the reaction of H atom with CH3CH2Cl.
Journal of Computational Chemistry 25(1): 72-82 (2004) |
5 | EE | Li Sheng,
Ze-Sheng Li,
Jing-Yao Liu,
Jing-Fa Xiao,
Chia-Chung Sun:
Theoretical study on the rate constants for the C2H5 + HBr C2H6 + Br reaction.
Journal of Computational Chemistry 25(3): 423-428 (2004) |
4 | EE | Li Wang,
Jing-Yao Liu,
Ze-Sheng Li,
Chia-Chung Sun:
Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br).
Journal of Computational Chemistry 25(4): 558-564 (2004) |
3 | EE | Jia-Xu Zhang,
Jing-Yao Liu,
Ze-Sheng Li,
Chia-Chung Sun:
Theoretical study on the mechanism of the 1CHCl + NO2 reactions.
Journal of Computational Chemistry 25(9): 1184-1190 (2004) |
2003 |
2 | EE | Jia-Yan Wu,
Jing-Yao Liu,
Ze-Sheng Li,
Xu-Ri Huang,
Chia-Chung Sun:
Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radical.
Journal of Computational Chemistry 24(5): 593-600 (2003) |
2002 |
1 | EE | Jing-Fa Xiao,
Ze-Sheng Li,
Jing-Yao Liu,
Li Sheng,
Chia-Chung Sun:
DFT and Ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH4-nFn (n = 1-3).
Journal of Computational Chemistry 23(15): 1456-1465 (2002) |