共发表SCI收录论文近20篇，分别发表在Journal of Physical Chemistry B;Journal of Physical Chemistry A; New Journal of Chemistry; Journal of Molecular Structure（THEOCHEM）等期刊。代表性论文：

1）Dianxiang Xing,Lixiang Sun, Robert I. Cukier, and Yuxiang Bu. Theoretical Prediction of the p53

Gene Mutagenic Mechanism Induced by trans-4-Hydroxy-2-nonenal J. Phys. Chem. B2007,111,

5362 -5371.

2)Dianxiang Xing, Xiaohua Chen and Yuxiang Bu. Pairing strength and proton characters of the N7, N9- dimethylated GC and AT base pairs: a density functional theory investigation, New J. Chem., 2007,

31, 1514–1524.

3)Dianxiang Xing,*Xuejie Tan,Xiaohua Chen and Yuxiang Bu,* Theoretical Study on the Gas-Phase

Acidity of Multiple Sites of Cu+-Adenine and Cu²⁺-Adenine Complexes,J. Phys. Chem. A2008,

112, 7418–7425.

4)Dianxiang Xing,*Yuxiang Bu,* and Xuejie Tan, Characterizing the Properties of the N7,N9-

Dimethylguaninium Chloride Ion Pairs: Prospecting for the Design of a Novel Ionic Liquid,J. Phys.

Chem. A2008,112, 106-116.

5)Dianxiang Xing*, Xuejie Tan, Changhua Zhang and Yuxiang Bu, Theoretical investigation on the structural and electronic properties of complexes formed by N7,N9-dimethylguaninium and different anions,Journal of Molecular Structure: THEOCHEM2010, 939, 82–90.

6)Dianxiang Xing*, Xuejie Tan, Xuebing Jiang and Bing Wang, Deprotonation studies of Cu⁺–guanine

and Cu²⁺–guanine complexes by theoretical investigation,Computational and Theoretical

Chemistry 2011,963, 490–496.