Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration. - Cun-Xi Liu; Ze-Rong Li; Chong-Wen Zhou; Xiang-Yuan Li (J. Comput. Chem., 2009)

Accurate prediction of enthalpies of formation for a large set of organic compounds. - Cun-Xi Liu; Hai-Xia Wang; Ze-Rong Li; Chong-Wen Zhou; Hanbing Rao; Xiang-Yuan Li (J. Comput. Chem., 2010)