Publications: 2006-2010

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41. Xin-Tian Feng, Jian-Guo Yu, Ruo-Zhuang Liu, Ming Lei, Wei-Hai Fang, Frank De Proft, Shubin Liu (2010) ”Why Iron? A Spin-Polarized Conceptual Density Functional Theory Study on Metal-Binding Specificity of Porphyrin.” J Phys Chem A 114(21):6342-6349 link
40. Zhuo Chen, Yue Chen, Yanhui Tang, Ming Lei* (2010) “A Theoretical Study of X Ligand Effect on Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2 (X = NCMe, CO, Cl, OMe, OPh, CCMe, H) in H2-hydrogenation of Ketones.” Dalton Trans 39:2036-2043 link
39. Ming Lei,* Wenchao Zhang, Yue Chen, Yanhui Tang (2010) ” Preference of H2 as Hydrogen Source in Hydrogenation of Ketone Catalyzed by Late Transition Metal Complexes.” Organometallics 29(3):543–548 link
38. Xin-Tian Feng, Jian-Guo Yu, Ming Lei, Wei-Hai Fang, Shubin Liu (2009). “Toward Understanding Metal-Binding Specificity of Porphyrin: A Conceptual Density Functional Theory Study.” J Phys Chem B 113(40):13381-13389 link
37. Baohua Zhang, Tianhu Yuan, Hua Jiang,* Ming Lei* (2009). ”Molecular Dynamics Simulations on the Stability and Assembly Mechanisms of Quadruple and Double Helical Aromatic Amide Foldamer.” J Phys Chem B 113(31):10934-10941 link
36. Yue Chen, Yanhui Tang, Shubin Liu, Ming Lei*, Weihai Fang* (2009). “Mechanism and Influence  of Acid in H2-hydrogenation of ketones catalyzed by η6-Arene/N-Tosylethylenediamine-Ruthenium(II).”  Organometallics 28(7):2078–2084 link
35. Yue Chen, Yanhui Tang, Ming Lei* (2009). “A Comparative Study on Hydrogenation of Ketone Catalyzed by Diphosphine-diamine Transition Metal Complexes using DFT Method.” Dalton Trans 13:2359-2364 link
34. Ying Liu, Fang Wang, Tianwei Tan, Ming Lei (2008). “Rational Design and Study on Recognition Property of Paracetamol-Imprinted Polymer.” Appl Biochem Biotech link
33.Aiguo Zhong, Dingben Chen, Ming Lei*, Shubin Liu* (2008). ”Understanding the Role of Water in Promoting E-isomer Production and Photochromism of Solid Schiff Base: A DFT and TD-DFT Study.” J Theor Comp Chem 7(5): 1071-1084 link
32. Zehan Hu, Yanhui Tang, Houfang Wang, Xu Zhang, Ming Lei* (2008). ” Dynamics and cooperativity of Trp-cage folding.” Arch Biochem Biophys 475(2): 140-147 link
31. Yue Chen, Shubin Liu*, Ming Lei* (2008). “Nature of Asynchronous Hydrogen Transfer in Ketone Hydrogenation Catalyzed by Ru Complex.” J Phys Chem C 112(35): 13524-13527 link
30. Guilei Wang, Yue Chen, Aiguo Zhong, Hongguang Du, Ming Lei* (2008). “A DFT Study on Formation of Bisaryloxime Ether from Benzaldehyde and Phenoxyamine.” Chem Lett 37(6): 656-657 link
29. Houfang Wang, Yanhui Tang*, Ming Lei* (2007). “Models for binding cooperativities of inhibitors with transthyretin.” Arch Biochem Biophys 466(1): 85-97 link
28. Ying Liu, Fang Wang, Tianwei Tan, Ming Lei (2007). ” Study of the properties of molecularly imprinted polymers by computational and conformational analysis.” Anal Chim Acta 581: 137-146 link
27. Mingfeng Yang, Ming Lei, Boyan Yordanov, Shuanghong Huo (2006) “Peptide-plane can flip in two opposite directions: implication in amyloid formation of transthyretin.” J Phys Chem B 110: 5829-5833 ( Co first author) link