Restriction on molecular fluxionality by substitution: A case study for the 1,10-dicyanobullvalene. - Bin-Bin Pei; Hongjuan Yang; Cai-Yue Gao; Yuan Man; Yonggang Yang; Si-Dian Li (J. Comput. Chem., 2024)

Fluxional halogen bonds in linear complexes of tetrafluorodiiodobenzene with dinitrobenzene. - Cai-Yue Gao; Bin-Bin Pei; Si-Dian Li (J. Comput. Chem., 2025)