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计算化学

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Jianhui Huang, Kaining Ding, Xinchen Wang, Xianzhi Fu Nanostructuring Cadmium Germanate Catalysts for Photocatalytic Oxidation of Benzene at Ambient Conditions LANGMUIR 2009(25)8313-8319 Jianhui Huang, , Kaining Ding, Hou Yidong, Xinchen Wang, Xianzhi Fu Synthesis and Photocatalytic Activity of Zn2GeO4 Nanorods for the Degradation of Organic Pollutants in Water CHEMSUSCHEM 2008(1)1011 Kaining Ding, Junqian Li, et.al., A DFT study for the coadsorption of Na and NO on TiO2(110) surface , Chem. Phys. Lett., 2004(389)255. The effects of the introduction of Al atom into monoclinic BiVO4: a theoretical prediction 《THEORETICAL CHEMISTRY ACCOUNTS》(2010) 127:751 The First-principles Calculations of H2S Adsorption and Decomposition on the ZnO (0001) Surface 《CHINESE JOURNAL OF STRUCTURAL CHEMISTRY》(2010) 8:1139 Acetonitrile adsorption and decomposition on the SnO2 (110) surface: a first-principles computation 《THEORETICAL CHEMISTRY ACCOUNTS》(2011) 128:163 A DFT study of CH3CN adsorption and decomposition on the TiO2 (110) surface 《International Journal of Quantum Chemistry》(2011) 5:915

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