李平 - 曲阜师范大学 - 化学与化工学院

研究领域

研究方向为应用量子化学，主要运用量子化学计算程序从微观层次上探讨化学、生物等过程中存在的各种问题。现主要从事与离子液体、纤维素、抗氧化剂等功能性分子的荷质转移、耦合机制及有关反应性能调控等方面的理论研究工作。

近期论文

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Li P*, Wang WH, Sun Q, Li Z, Du AJ, Bi SW, Zhao Y. Insights into the mechanism of the reaction between tetrachloro-p-benzoquinone and hydrogen peroxide and their implications in the catalytic role of water molecules in producing the hydroxyl radical. ChemPhysChem, 2013, 14(12), 2737-2743. @ Wang WH, Li Z, Sun Q, Du AJ, Li YL, Wang J, Bi SW, Li P*. Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study. Corrosion Science, 2012, 61, 101-110. @ Li P*, Ma ZY, Wang WH, Song R, Zhai YZ, Bi SW, Sun HT, Bu YX*. Theoretical studies on the electron capture properties of the H2SO4×××HOO· complex and its implications as an alternative source of HOOH. Physical Chemistry Chemical Physics, 2011, 13(13), 5931-5939. @ Li P*, Ma ZY, Wang WH, Zhai YZ, Sun HT, Bi SW, Bu YX*. Theoretical studies on the coupling interactions in H2SO4···HOO····(H2O)n(n=0-2) clusters: Toward understanding the role of water molecules in the uptake of HOO· radical by sulfuric acid aerosols. Physical Chemistry Chemical Physics, 2011, 13(3), 941-953. @ Li P*, Shen ZT, Wang WH, Ma ZY, Bi SW, Sun HT, Bu YX*. The capture of H and OH radicals by vitamin C and implications for the new source for the formation of the anion free radical. Physical Chemistry Chemical Physics, 2010, 12(20), 5256-5267. @ Li P*, Ma ZY, Wang WH, Shen ZT, Bi SW, Sun HT, Bu YX*. Coupling interactions between sulfurous acid and the hydroperoxyl radical and implications for the formation of highly stable intermediates. ChemPhysChem, 2010, 11(3): 696-705. @ Li P*, Wang WH, Bi SW, Song R, Bu YX*. Theoretical studies of the proton transfer behaviors in molecular complexes analogous to catalytic triad of serine protease: toward understanding the existence and significance of the low-barrier hydrogen-bond in enzymatic catalysis. Science inChinaSeries B: Chemistry, 2009, 52(2): 131-136. @ Mou ZX, Li P*, Bu YX*, Wang WH, Shi JY, Song R. Investigations of coupling characters in ionic liquids formed between 1-ethyl-3-methylimidazolium cation and glycine anion. Journal of Physical Chemistry B, 2008, 112(16): 5088-5097. @ Li P*, Xie XY, Bu YX*, Wang WH, Wang NN, Shi JY, Mou ZX. Theoretical studies on the coupling interactions and self-exchange reaction mechanisms in the complexes of NO with ONH and NOH. Journal of Theoretical and Computational Chemistry, 2008, 7(3): 435-446. @ Wang WH, Wang NN, Li P*, Bu YX*, Xie XY, Song R. Theoretical studies on the properties of uracil and its dimer upon thioketo substitution. Theoretical Chemistry Account, 2008, 121: 21-31. @ Wang WH, Li P*, Tan XJ, Wang QF, Zheng GX, Bu YX*. Probing the imine silylenoid HN=SiNaF and its insertions reaction with R-H (R=F, OH, NH2, CH3) using DFT. Structural Chemistry, 2008, 19(3): 527-533. @ Shi JY, Li P*, Bu YX*, Wang WH, Mou ZX, Song R. Isomerization of HNO to HON in the singlet state assisted by amino acid residues and/or water molecules. International Journal of Quantum Chemistry, 2008, 108(7): 1246-1256. @ Wang NN, Li P*, Hu Y, Bu YX*, Wang WH, Xie XY. Association of Uracil with Zn2+ and the hydrated Zn2+: A DFT investigation. Journal of Theoretical and Computational Chemistry, 2007, 6(2): 197-212. @ Tan XJ, Wang WH, Li P*, Yang XL, Zheng GX, Ma YX, Yuan ZD. DFT studies of the phosphinidene derivative HPNaF and its insertion reaction with R-H(R=F, OH, NH2, CH3). Theoretical Chemistry Account, 2007, 118: 357-362. @ Liu HC, Zhang L, Li P, Cukier RI, Bu YX. Exploration of the Ca2+ interaction modes of the Nifedipine calcium channel antagonist. ChemPhysChem, 2007, 8(2): 304-314. @ Xiang F, Li P, Yan SH, Sun LX, Cukier RI, Bu YX. Hydration effect on interaction mode between glutamic acid and Ca2+ and its biochemical implication: a theoretical exploration. New Journal of Chemistry, 2006, 30(6): 890-900. @ Li HF, Bu YX, Yan SH, Li P, Cukier RI. Proton character of the peptide unit in the Ca2+-binding sites of calcium pump. Journal of Physical Chemistry B, 2006, 110(22): 11005-11013. @ Li P, Bu YX. Double proton transfer and one-electron oxidation behavior in double H-bonded glycinamide-glycine complex in the gas phase. Journal of Computational Chemistry, 2005, 26(6): 552-560. @ Li P, Bu YX, Ai HQ, Yan SH, Han KL. Double proton transfer and one-electron oxidation behaviors in double H-bonded glycinamide-formamidine complex and comparison with biological base pair. Journal of Physical Chemistry B, 2004, 108(43): 16976-16982. @ Li P, Bu YX. Multiwater-assisted proton transfer study in glycinamide using density functional theory. Journal of Physical Chemistry B, 2004, 108(46): 18088-18097.