1、Fang Wang, Chungu Xia, Sam P. de Visser*, Yong Wang*, “How Does the Oxidation State of Palladium Surfaces Affect the Reactivity and Selectivity of Direct Synthesis of Hydrogen Peroxide from Hydrogen and Oxygen Gases? A Density Functional Study”, Journal of the American Chemical Society, 2019, 141, 901？910.
2、Fang Wang, Wei Sun, Chungu Xia, Yong Wang*, “DFT Studies of the Substituent Effects of Dimethylamino on Non-heme Active Oxidizing Species: Iron(V)-oxo Species or Iron(IV)-oxo Acetate Aminopyridine Cation Radical Species?”, Journal of Biological Inorganic Chemistry, 2017, 22, 987–998.
3、Fang Wang, Gangli Zhu, Zhen Li, Feng Zhao, Chun-Gu Xia*, Jing Chen, “Mechanistic Study for the Formation of Polyoxymethylene Dimethyl Ethers Promoted by Sulfonic Acid-functionalized Ionic Liquids”, Journal of Molecular Catalysis A: Chemical, 2015, 408, 228–236.
4、 Fang Wang, Chuanzhi Xu, Zhen Li, Chungu Xia*, Jing Chen, “Mechanism and Origins of Enantioselectivity for [BMIM]Cl Ionic Liquids and ZnCl2 Co-catalyzed Coupling Reaction of CO2 with Epoxides”, Journal of Molecular Catalysis A: Chemical, 2014, 385, 133-140.
5、 Fang Wang, Dongju Zhang*, Yi Ding*, “DFT study on CO oxidation catalyzed by PtmAun (m+n=4) clusters: catalytic mechanism, active component, and the configuration of ideal catalysts”, Journal of Physical Chemistry C, 2010, 114, 14076-14082.
6、 Fang Wang, Peng Liu, Dongju Zhang*, “Structures of Au/Pt bimetallic clusters: Homogeneous or segregated?”, Journal of Molecular Modeling, 2010, 17, 1069-1073.
7、 Fang Wang, Dongju Zhang*, Xiaohong Xu, Yi Ding*, “A Theoretical Study of the CO Oxidation Mediated by Au3+, Au3 and Au3–: Mechanism and Charge State Effect of Gold on Its Catalytic Activity”, Journal of Physical Chemistry C, 2009, 113, 18032–18039.
8、Fang Wang, Dongju Zhang*, Hui Sun, Yi Ding*, “Theoretical Investigation of the Formation of Hydrogen Peroxide from H2 and O2 over Anionic Gold Clusters Aun– (n=1–4)”, Journal of Physical Chemistry C, 2007, 111, 11590–11597.