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Y. Li, W. Guo, W. Fan, S. Yuan, J. Li, J. Wang, H. Jiao, T. Tatsumi. A DFT study on the distributions of Al and Br?nsted acid sites in zeolite MCM-22. J. Mol. Catal. A: Chem. 338 (2011) 24-32. (SCI, IF=3.135)
Y. Li, W. Guo, S. Yuan, W. Fan, J. Wang, H. Jiao. Effective ONIOM schemes for modeling MCM-22 zeolite. J. Mol. Struct. (THEOCHEM) 916 (2009) 53-60. (SCI, IF=1.216)
Y. Li, W. Guo, Z. Qin, W. Fan, J. Wang. An ONIOM Study of Thiophene Cracking in a Br?nsted Acidic Zeolite. Chin. J. Catal. 31 (2010) 1419-1426. (封面文章) (SCI, IF=0.786)
X. Shen, Y. Li, Y. He, W. Guo, J. Li, J. Wang, W. Fan. Clean oxidation of benzene over highly active TS-1 catalyst. Nature Chemistry (In preparation).
Y. Jia, Y. Li, G. Fu, X. Yu, T. Luo, Y. Zhang, F. Meng, M. Zhang, J. Liu, X. Huang. Is Electrostatic Attraction between Hydroxyl-like Species and Arsenate Responsible for Arsenic removal by Mn-Ce Bimetal Oxide? J. Hazard. Meter. (In preparation)
Y. Li, W. Guo, S. Yuan, W. Fan, J. Wang, H. Jiao. Modeling Zeolite System more reliably – An ONIOM Study of MCM-22 Zeolite. 10th National Conference of Quantum Chemistry, 2008, Poster.
Y. Li, W. Guo, W. Fan, J. Wang, H. Jiao. DFT study on the structure-directing role of alkali metal cations in the crystallization of MCM-22 and the distributions of Al and Br?nsted acid sites in the framework. 5th Worldwide Chinese Theoretical and Computational Chemistry Conference, 2009, Poster.
Y. Li, W. Guo, W. Fan, J. Wang, H. Jiao. DFT Studies on the Location of Al Substitution and Br?nsted Acid Sites in MCM-22. Zeolite International Symposium on Zeolites and Microporous Crystals (ZMPC2009), 2009, Oral Presentation.