Time-dependent density functional theory study on the absorption spectrum of Coumarin 102 and its hydrogen-bonded complexes. - Wenwei Zhao; Yihong Ding; Qiying Xia (J. Comput. Chem., 2011)

Structures and properties of ionic crystals and condensed phase ionic liquids predicted with the generalized energy-based fragmentation method. - Yunzhi Li; Dong Wang; Fangjia Fu; Qiying Xia; Wei Li 066; Shuhua Li (J. Comput. Chem., 2022)