Theoretical study on reaction mechanism of the CF radical with nitrogen dioxide. - Yu-Guo Tao; Yi-Hong Ding; Jian-Jun Liu; Ze-Sheng Li; Xu-Ri Huang; Chia-Chung Sun (J. Comput. Chem., 2001)

Theoretical study on the mechanism of the gas-phase reaction of diborane(3) anion with carbon disulfide. - Zheng-Wang Qu; Hui Zhu 009; Ze-Sheng Li; Qi-Yuan Zhang (J. Comput. Chem., 2002)

Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4). - Yang Wu; Yi-Hong Ding; Jing-Fa Xiao; Ze-Sheng Li; Xu-Ri Huang; Chia-Chung Sun (J. Comput. Chem., 2002)

DFT and Ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH4-nFn (n = 1-3). - Jing-Fa Xiao; Ze-Sheng Li; Jing-Yao Liu; Li Sheng; Chia-Chung Sun (J. Comput. Chem., 2002)

Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radical. - Jia-Yan Wu; Jing-Yao Liu; Ze-Sheng Li; Xu-Ri Huang; Chia-Chung Sun (J. Comput. Chem., 2003)

Homology modeling and molecular dynamics study of GSK3/SHAGGY-like kinase. - Jing-Fa Xiao; Ze-Sheng Li; Miao Sun; Yuan Zhang; Chia-Chung Sun (Comput. Biol. Chem., 2004)

Density functional investigation of reaction of borohydride cation BH2+ with propylene. - Zheng-Wang Qu; Hui Zhu 009; Ze-Sheng Li; Xing-Kang Zhang; Qi-Yuan Zhang (J. Comput. Chem., 2004)

Ab initio direct dynamics studies on the reaction of H atom with CH3CH2Cl. - Li Sheng; Ze-Sheng Li; Jing-Yao Liu; Jing-Fa Xiao; Chia-Chung Sun (J. Comput. Chem., 2004)

Theoretical study on the rate constants for the C2H5 + HBr C2H6 + Br reaction. - Li Sheng; Ze-Sheng Li; Jing-Yao Liu; Jing-Fa Xiao; Chia-Chung Sun (J. Comput. Chem., 2004)

Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br). - Li Wang; Jing-Yao Liu; Ze-Sheng Li; Chia-Chung Sun (J. Comput. Chem., 2004)

Theoretical study on the mechanism of the 1CHCl + NO2 reactions. - Jia-Xu Zhang; Jing-Yao Liu; Ze-Sheng Li; Chia-Chung Sun (J. Comput. Chem., 2004)

Theoretical study on reaction mechanism of the fluoromethylene radical with nitrogen dioxide. - Jia-Xu Zhang; Jing-Yao Liu; Ze-Sheng Li; Chia-Chung Sun (J. Comput. Chem., 2004)

Theoretical study for the reaction of CH3OCl with Cl atom. - Hong-Qing He; Jing-Yao Liu; Ze-Sheng Li; Chia-Chung Sun (J. Comput. Chem., 2005)

Theoretical study and rate constant calculation for the reactions of SH (SD) with Cl2, Br2, and BrCl. - Li Wang; Jing-Yao Liu; Ze-Sheng Li; Chia-Chung Sun (J. Comput. Chem., 2005)

Theoretical study on the reaction mechanism of the methyl radical with nitrogen oxides. - Jia-Xu Zhang; Jing-Yao Liu; Ze-Sheng Li; Chia-Chung Sun (J. Comput. Chem., 2005)

Dual-level direct dynamics studies on the reaction Cl + CHBr2Cl. - Hui Zhang 060; Jia-Yan Wu; Ze-Sheng Li; Jing-Yao Liu; Li Sheng; Chia-Chung Sun (J. Comput. Chem., 2005)

Theoretical mechanistic study on the radical-molecule reaction of CHCl2/CCl3 with NO2. - Jia-Xu Zhang; Ze-Sheng Li; Jing-Yao Liu; Chia-Chung Sun (J. Comput. Chem., 2006)

Theoretical study on the mechanism of the CH2F + NO2 reaction. - Jia-Xu Zhang; Ze-Sheng Li; Jing-Yao Liu; Chia-Chung Sun (J. Comput. Chem., 2006)

Kinetic mechanism of the hydrogen abstraction reactions of the chlorine atoms with CH3CF2Cl and CH3CFCl2: A dual level direct dynamics study. - Yue-meng Ji; Xiao-lei Zhao; Ze-Sheng Li; Jing-Yao Liu (J. Comput. Chem., 2007)

Ab initio direct dynamics studies on the reactions of chlorine atom with CH3-nFnCH2OH (n = 1-3). - Ying Wang; Jing-Yao Liu; Ze-Sheng Li (J. Comput. Chem., 2007)

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 (J. Comput. Chem., 2007)

Theoretical study of the reactions CF3CH2OCHF2 + OH/Cl and its product radicals and parent ether(CH3CH2OCH3) with OH. - Lei Yang; Jing-Yao Liu; Li Wang; Hong-Qing He; Ying Wang; Ze-Sheng Li (J. Comput. Chem., 2007)

Substitution effect on the geometry and electronic structure of the ferrocene. - Guiling Zhang; Hui Zhang 060; Miao Sun; Yanhong Liu; Xiaohong Pang; Xiaoyang Yu; Bo Liu 059; Ze-Sheng Li (J. Comput. Chem., 2007)

Theoretical study on the Br + CH3SCH3 reaction. - Hui Zhang 060; Guiling Zhang; Li Wang; Bo Liu 059; Xiaoyang Yu; Ze-Sheng Li (J. Comput. Chem., 2007)

Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCln (n = 0-3) with the chlorine atom. - Yue-meng Ji; Xiao-lei Zhao; Jing-Yao Liu; Ying Wang; Ze-Sheng Li (J. Comput. Chem., 2008)

Theoretical study on the OH + CH3NHC(O)OCH3 reaction. - Hui Zhang 060; Guiling Zhang; Jing-Yao Liu; Bo Liu 059; Xiaoyang Yu; Ze-Sheng Li (J. Comput. Chem., 2008)

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 (J. Comput. Chem., 2009)

Dual-level direct dynamics studies for the reactions of OH radical with bromine-substituted ethanes. - Li Wang; Jing-Yao Liu; Hong Gao; Su-Qin Wan; Ze-Sheng Li (J. Comput. Chem., 2009)

Theoretical studies of the reactions of CF3CHCLOCHF2/CF3CHFOCHF2 with OH radical and Cl atom and their product radicals with OH. - Lei Yang; Jing-Yao Liu; Su-Qin Wan; Ze-Sheng Li (J. Comput. Chem., 2009)

Theoretical study on the reaction of SiH(CH3)3 with SiH3 radical. - Hui Zhang 060; Guiling Zhang; Jing-Yao Liu; Miao Sun; Bo Liu 059; Ze-Sheng Li (J. Comput. Chem., 2009)

On the kinetic mechanism of the hydrogen abstraction reactions of the hydroxyl radical with CH3CF2Cl and CH3CFCl2: A dual level direct dynamics study. - Yue-meng Ji; Fenglei Cao; Hui Gao 004; Xiangzhi Li; Cunyuan Zhao; Chengyong Su; Jing-Yao Liu; Ze-Sheng Li (J. Comput. Chem., 2010)

Theoretical study and rate constants calculation for the reactions of SiH3 radical with SiH3CH3 and SiH2(CH3)2. - Hui Zhang 060; Guiling Zhang; Jing-Yao Liu; Miao Sun; Bo Liu 059; Ze-Sheng Li (J. Comput. Chem., 2010)

Theoretical studies on the reactions CH3SCH3 with OH, CF3, and CH3 radicals. - Hui Zhang 060; Guiling Zhang; Jing-Yao Liu; Miao Sun; Bo Liu 059; Ze-Sheng Li (J. Comput. Chem., 2010)

Theoretical study and rate constants calculation for the reactions X + CF3CH2OCF3 (X = F, Cl, Br). - Hui Zhang 060; Yang Liu; Jing-Yao Liu; Ze-Sheng Li (J. Comput. Chem., 2012)

Theoretical study on the reaction CX3 + SiH(CH3)3 (X = H, F). - Hui Zhang 060; Liu Yang; Jing-Yao Liu; Ze-Sheng Li (J. Comput. Chem., 2012)