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)

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 investigation on redox-switchable second-order nonlinear optical responses of push-pull Cp*CoEt2C2B4H3-expanded (metallo)porphyrins. - Nana Ma; Chunguang Liu; Yong-Qing Qiu; Shiling Sun; Zhongmin Su (J. Comput. Chem., 2012)