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)

An effective method for accurate prediction of the first hyperpolarizability of alkalides. - Jianan Wang; Hong-Liang Xu; Shiling Sun; Ting Gao; Hong-Zhi Li; Hui Li 092; Zhongmin Su (J. Comput. Chem., 2012)

An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes. - Jianan Wang; Jun-Ling Jin; Yun Geng; Shiling Sun; Hong-Liang Xu; Ying-Hua Lu; Zhongmin Su (J. Comput. Chem., 2013)

After the electronic field: Structure, bonding, and the first hyperpolarizability of HArF. - Heng-Qing Wu; Rong-Lin Zhong; Yu-He Kan; Shiling Sun; Min Zhang 021; Hong-Liang Xu; Zhongmin Su (J. Comput. Chem., 2013)