DFT study of the carbon- and nitrogen-pivot lariat crown ethers and their complexes with alkali metal cations: Na+, K+. - Xiaoyan Zheng; Xueye Wang; Shanfeng Yi; Nuanqing Wang; Yueming Peng (J. Comput. Chem., 2009)

Molecular design of a "molecular syringe" mimic for metal cations using a 1, 3-alternate calix[4]arene cavity. - Xiaoyan Zheng; Xueye Wang; Keqi Shen; Nuanqing Wang; Yueming Peng (J. Comput. Chem., 2010)

Density functional theory study of the free and tetraprotonated spheroidal macrotricyclic ligands and the complexes with halide anions: F-, Cl-, Br-. - Xiaoyan Zheng; Xueye Wang; Shanfeng Yi; Nuanqing Wang; Yueming Peng (J. Comput. Chem., 2010)

Density functional theory study of calix[4]arene-N-azacrown-5, calix[4]arene-N-phenyl-azacrown-5, and their complexes with alkali-metal cations: Na+, K+, and Rb+. - Xiaoyan Zheng; Xueye Wang; Shanfeng Yi; Nuanqing Wang; Yueming Peng (J. Comput. Chem., 2010)