Theoretical study on HBO+ and HOB+ cations using multiconfiguration second-order perturbation theory. - Wen-Zuo Li; Jian-Bo Cheng; Qing-Zhong Li; Bao-An Gong; Jia-Zhong Sun (J. Comput. Chem., 2010)

A new unconventional halogen bond C-X–H-M between HCCX (X = Cl and Br) and HMH (M = Be and Mg): An ab initio study. - Qing-Zhong Li; Xu Dong; Bo Jing; Wen-Zuo Li; Jian-Bo Cheng; Bao-An Gong; Zhi-Wu Yu (J. Comput. Chem., 2010)

Interplay between halogen bond and lithium bond in MCN-LiCN-XCCH (M = H, Li, and Na; X = Cl, Br, and I) complex: The enhancement of halogen bond by a lithium bond. - Qing-Zhong Li; Ran Li; Zhenbo Liu; Wen-Zuo Li; Jian-Bo Cheng (J. Comput. Chem., 2011)

The structure, properties, and nature of HArF-HOX (X = F, Cl, Br) complex: An ab initio study and an unusual short hydrogen bond. - Qing-Zhong Li; Jun-Ling Zhao; Bo Jing; Ran Li; Wen-Zuo Li; Jian-Bo Cheng (J. Comput. Chem., 2011)