1. Zhang Riguang, Ling Lixia, Wang Baojun, Huang Wei. Solvent Effects on Adsorption of CO over CuCl(111) Surface: A Density Functional Theory Study, Applied Surface Science, 2010, 256: 6717-6722 (SCI)

2. Ling Lixia, Zhang Riguang, Wang Baojun, Xie Kechang. DFT study on the sulfur migration during benzenethiol pyrolysis in coal, Journal of Molecular Structure (THEOCHEM), 2010, 952: 31-35 (SCI)

3. 章日光，任军，凌丽霞，刘树森，李忠. CuCl与SiO₂-TiO₂载体相互作用的密度泛函理论研究，化学学报, 2010, 68(9): 851-857 (SCI)

4. 章日光，郑华艳，王宝俊，李忠. CO和CH₃O在Cu₂O(111)表面吸附特性及共吸附的理论研究, 高等学校化学学报, 2010, 31(6): 1246-1251 (SCI)

5. Zhang Riguang, Ling Lixia, Wang Baojun. Theoretical studies on reaction mechanism of H₂ with COS, Journal of Molecular Modeling, 2010, 16: 1911-1917 (SCI)

6. Zhang Riguang, Wang Baojun, Ling Lixia, Liu Hongyan, Huang Wei. Adsorption of dissociation of H₂ on the Cu₂O(111) surface: a density functional theory study, Applied Surface Science, 2010, 257: 1175-1180 (SCI)