研究领域
1.新型药物分子的设计、合成与生物活性研究；药物中间体的合成；
2.运用量子化学计算方法和分子模拟技术，在微观水平上研究物质物质的合成机理及分子微观结构与宏观性能之间的关系。
近期论文
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（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）
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,
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. 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.
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