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. B 2007, 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,
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,
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. A 2008, 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.