Searching for stable hept-C62X2 (X = F, Cl, and Br): Structures and stabilities of heptagon-containing C62 halogenated derivatives. - Lili Sun; Shuwei Tang; Yingfei Chang; Zhanliang Wang; Rongshun Wang (J. Comput. Chem., 2008)

Computational studies on the mechanism and kinetics of Cl reaction with C2H5I. - Xiujuan Jia; You-Jun Liu; Jingyu Sun; Hao Sun; Fang Wang; Zhongmin Su; Xiumei Pan; Rongshun Wang (J. Comput. Chem., 2010)

Theoretical and kinetic study of the H + C2H5CN reaction. - Jingyu Sun; Yizhen Tang; Hao Sun; Xiujuan Jia; Xiumei Pan; Rongshun Wang (J. Comput. Chem., 2010)

Electronic structures and nonlinear optical properties of highly deformed halofullerenes C3v C60F18 and D3d C60Cl30. - Shu-Wei Tang; Jing-Dong Feng; Yong-Qing Qiu; Hao Sun; Feng-Di Wang; Ying-Fei Chang; Rongshun Wang (J. Comput. Chem., 2010)

Mechanistic and kinetic investigations of N2H4 + OH reaction. - Yizhen Tang; Jingyu Sun; Xiujuan Jia; Hao Sun; Xiumei Pan; Rongshun Wang (J. Comput. Chem., 2010)

Theoretical study on the kinetics of OH radical reactions with CH3OOH and CH3CH2OOH. - Jie Luo; Xiujuan Jia; Yang Gao; Guicai Song; Yanbo Yu; Rongshun Wang; Xiumei Pan (J. Comput. Chem., 2011)

Thermochemical stabilities, electronic structures, and optical properties of C56X10 (X = H, F, and Cl) fullerene compounds. - Shu-Wei Tang; Jing-Dong Feng; Yong-Qing Qiu; Hao Sun; Feng-Di Wang; Zhongmin Su; Ying-Fei Chang; Rongshun Wang (J. Comput. Chem., 2011)

Theoretical study on the gas phase reaction of propargyl alcohol with hydroxyl radical. - Yunju Zhang; Jingyu Sun; Wanqiao Zhang; Yizhen Tang; Rongshun Wang (J. Comput. Chem., 2014)