1.Lixin Zhou. Theoretical Analysis on the Transition State of the Anticancer Drug trans-[PtCl2(isopropylamine)2] and Its cis Isomer Binding to DNA Purine Bases. J. Phys. Chem. B, 2009, 113, 2110-2127.

2. Yan Gao, Lixin Zhou*.DNA Bindings of a Novel Anticancer Drugtrans-[PtCl2(isopropylamine)(3-picoline)] and Kinetic Competition of Purine Bases with Protein Residues in the Bifunctional Substitutions, a Theoretical DFT Study. Theor. Chem. Acc., 2009, 123 ,455-468.

3. Qinghui Yuan , Lixin Zhou* , Yan Gao. The Hydrolysis Mechanism of the Anticancer Agent trans-Dichloro(ammine)(quinoline)platinum Complex: A Theoretical Study. J. Theor. Comput. Chem. 2008,7,381-395.

4. Zhijuan Xu, Lixin Zhou*.A DFT Study of A Novel Oxime Anticancer Trans Platinum Complex: Monofunctional and Bifunctional Binding to Purine Bases. Int. J. Quantum Chem., 2011, 111, 1907-1920.

5. Xiang Chen, Lixin Zhou*.Titanocene(IV) binds to the purine bases and phosphate backbone of DNA: A theoretical calculation study. J. Mol. Struct.(Theochem), 2010, 940,45-49.

6. Chunqiang Deng, Lixin Zhou*. Binding of ansa- and non-ansa-titanocene anticancer drugs to DNA: a DFT study. 2010, Struct. Chem., 21,735-744.

7. Yanfang Wu, Lixin Zhou *. Binding to DNA purine bases and amino acid residues of a ruthenium(II)antitumor complex: A density functional study. Inorg. Chim. Acta, 2010, 363,3274-3281.

8. Dongdong Zhang, Xiuli Ren, Lixin Zhou*.Theoretical analysis of trans-[PtCl2(NH3)(thiazole)] and trans-[PtCl2(thiazole)2] binding to biological targets — Factors influence binding kinetics and adduct stability. Can. J. Chem., 2010, 88, 1240-1246.

9. Bo Jiang, Lixin Zhou*.Theoretical Study of Anticancer Drug cis-dichloro (pyridin-2-ylcarboxaldimine) -palladium(II) Compounds Containing Bulky Fluorinated Aryl Groups Binding to Purine Bases: The Activity of Three Isomers. Comput. Theor. Chem., 2011, 965,28-40.

10. Chunqiang Deng, Lixin Zhou*.Theoretical Study on the interaction of titanocene dichloride with deoxyguanosine monophosphate. Inorg. Chim. Acta, 2011, 370,70-75.

11. Dongdong Zhang, Lixin Zhou*. Theoretical Insight into [Pd(en)(H2O)2]2+ Binding to Guanine Form [{Pd(en)(guanine)}4]4+: Kinetic Control and Thermodynamic Control. Comput. Theor. Chem., 2011, 967,102-112.

12. Lixin Zhou*. Computational study on the mechanisms of action of the potential anticancer drug trans-isopropylaminedimethylaminedichloroplatinum (trans-IPADMADP) and its cis isomer with DNA purine bases. Inorg. Chim. Acta, 2011, 376: 44～56.

13. Bo Jiang, Lixin Zhou*. Theoretical study of anticancer drug trans-[Pd(dmnp)2Cl2] binding to DNA purine bases, phosphate group and amino acid residues. Struct. Chem., 2011, 22,1353-1364.

15. Hongli Zhao, Lixin Zhou*. A theoretical study on transition state of the antitumor drug: gold (III) dithiocarbamate derivative interaction with cysteine and DNA purine bases.Comput. Theor. Chem., 2012, 979,22-32.

16.Juan Li,* Qi Zhang, Lixin Zhou. Theoretical Studies on N−O or N−N Bond Formation from ArylAzide Catalyzed by Iron(II) Bromide Complex. J. Org. Chem. 2012, 77,2566-2570.

17. Qiulan Fu, Lixin Zhou*,Juan Li.Binding of anticancer drug Ru(η6-C6H5(CH2)2OH)Cl2(DAPTA) to DNA purine bases and amino acid residues: a theoretical study. Struct. Chem.,2012， DOI 10.1007/s11224-012-0003-5

18. Yaying Zhao, Lixin Zhou*. Computational study of Hydrogen-Bonded Complexes between the Most Stable Tautomers of L-Leucine and bases of RNA. Theor. Chem. Acc., 2005, 113,249-256.

19. Yaying Zhao, Lixin Zhou*.Computational study of hydrogen-bonded complexes of the pyrimidinic bases of RNA and L-leucine. J. Mol. Struct.(Theochem), 2005, 726,31-37.

20. Lixin Zhou*. Ab initio and density functional predictions of the structure, gas-phase acidity and aromaticity of 1,2-dithio-3,4-diselenosquaric acid. Chem. Phys. Lett., 2000,317, 330-337.

21. Lixin Zhou*, Chaoyong Mang, Yongfan Zhang, Shengchang Xiang, Zunxing Huang.Theoretical predictions of the structure, gas-phase acidity and aromaticity of tetrathiosquaric acid.Int. J. Quantum Chem., 2000, 78,443-449.

22. Lixin Zhou*. Theoretical predictions on the structure, gas-phase acidity and aromaticity of 1,2-diseleno-3,4-dithiosquaric acid. Theor. Chem. Acc., 2000, 105,86-92.

23. Lixin Zhou*, Yongfan Zhang, Liming Wu, Junqian Li. The gas-phase acidity and aromaticity of squaric acid:An ab initio and density functional study. J. Mol. Struct.(Theochem),2000,497,137-144