1、具有光、电、磁等功能有机物和配合物的设计合成、理论计算及性 质研究。

2、新型药物分子的设计合成与生物活性研究；

1）trans-4-[p-(N,N-Diethylamino)styryl]-N-methyl- pyridinium triiodide，Acta Cryst.,

(2004). E60,o1054-o1056；

2）1,4-Dimethylpyridinium hexakis (di-methylformamide-jO) calcium(II)

dodecamolybdophosphate，Acta Cryst., (2004). C60, m476-m478；

3) 1,4-Dimethylpyridinium triiodide, Acta Cryst., (2005). E61, o756-o757；

4) Tetrakis(1,4-dimethylpyridinium) dodecamolybdophosphate nitrate, Acta Cryst.,

(2005).E61, m711-m713；

5) Tetrakis(1,4-dimethylpyridinium) dodecamolybdosilicate， Acta Cryst., (2005). E61, m1620–m1622；

6) Tris {trans – 4 - [ p - (N,N - diethylamino) styryl] – N - methylpyridinium}

Dodecatungstophosphate，Acta Cryst., (2005). E61, m437-m440；

7）Tris(1,4-dimethylpyridinium) aquaheptakis- (dimethylformamide-κO)lanthanum(III)

diphosphatooctadecatungsten dimethylformamide disolvate，Acta Cryst., (2006).

E62, m2252-m2254；

8）Poly[N,N,N’,N’-tetrakis[3-(methoxycarbonyl)-propyl]ethylenediammonium [tetra-l-

iodohexaiodotetramercurate(II)]], Acta Cryst., (2006). E62, m2502-m2504；

9）Tetrakis{trans-4-[ (N,N-diethylamino)styryl]-1-methylpyridinium}

dodecatungstosilicate tetradecahydrate , Acta Cryst., (2006). E62, m2613-m2615；

10）Theoretical Study on the Gas-Phase Acidity of Multiple Sites of Cu+-Adenine and

Cu2+-Adenine Complexes，J. Phys. Chem. A （2008）, 112, 7418–7425；

11）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；

12）4,4’-(Phenylimino)dibenzaldehyde，Acta Cryst. (2009). E65, o2192；

13）Methyl pyrazine-2-carboxylate，Acta Cryst. (2009). E65, o2902；

14）Theoretical investigation on the structural and electronic properties of complexes

formed by N7,N9-dimethylguaninium and different anions，Journal of Molecular

Structure: THEOCHEM，939 (2010)：82–90；

15）A two-dimensional undulating AgI coordination polymer constructed of Ag-C and Ag-

O bonds: poly[[[μ3-(5,6-η):κO2:κO2-(±)-(1S,2S,3R,4R )-3-carboxy-7-oxabicyclo

[2.2.1]hept-5-ene-2-carboxylato]silver(I)]monohydrate]，Acta Cryst. (2011). C67,

m218-m220；

16）Deprotonation studies of Cu+–guanine and Cu2+–guanine complexes by theoretical

investigation, Computational and Theoretical Chemistry 2011, 963, 490–496。