Theoretical studies for structures and energetics of RgnN2O (RgHe, Ne, Ar) clusters. - Hua Zhu; Daiqian Xie; Guosen Yan (J. Comput. Chem., 2003)

DFT study and Monte Carlo simulation on proton transfers of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water. - Ying Xue 001; Chan Kyung Kim; Yong Guo; Daiqian Xie; Guosen Yan (J. Comput. Chem., 2005)

Theoretical study on the hydrolysis mechanism of N, N-dimethyl-N'-(2-oxo-1, 2-dihydro-pyrimidinyl)formamidine: Water-assisted mechanism and cluster-continuum model. - Yong Wu 002; Lu Jin; Ying Xue 001; Daiqian Xie; Chan Kyung Kim; Yong Guo; Guosen Yan (J. Comput. Chem., 2008)