v 个人简历
Ø 教育背景：
2010.7-2013.1 山东大学环境科学与工程学院博士后（导师：张庆竹教授）
2001.9-2006.7 山东大学化学与化工学院，硕博连读（导师：步宇翔教授）
1997.9-2001.7 曲阜师范大学化学与化工学院，本科
Ø 工作经历：
2021.9-至今 化学与化工学院副院长
2012.12-至今 教授，物理化学专业硕士生导师
2011.10-2012.1 澳大利亚昆士兰大学，访问学者
2006.11-2012.12 曲阜师范大学化学与化工学院，破格晋升副教授
2006.7-2006.10 曲阜师范大学化学与化工学院，讲师
v 联系方式
通讯地址：曲阜师范大学化学与化工学院（273165）
电子邮件: lignip@163.com
v 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与大气化学、环境污染物、各类功能性分子相关的作用过程、反应机制及反应性能调控等方面的理论研究工作。担任Journal of the American Chemical Society、Environmental Science & Technology、Chemical Research in Toxicology、Journal of Organic Chemistry、Physical Chemistry Chemical Physics、Organic & Biomolecular Chemistry等国内外期刊审稿人。
v 研究生招生与培养
每年拟招收硕士研究生1~2名，勤奋好学有上进心者优先考虑。
已毕业的硕士生大多就业（考取公务员、高校或中学任教）或考取著名高校科研院所博士研究生（清华大学、中科院化学研究所等）。
v 教学
讲授《结构化学》、《计算化学》、《量子化学》（山东省研究生教育优质课程）、《反应动力学》及《文献检索》 等课程。
v 主要荣誉、奖励
曲阜师范大学师德标兵（2022.7）
济宁市优秀党务工作者（2021.6）
曲阜师范大学优秀共产党员（2019.6）
曲阜师范大学首届“优秀青年教师学术资助计划”（2013.1）
曲阜师范大学优秀教师（2011.9）
曲阜师范大学优秀硕士生指导教师（2010.6，2012.6）
曲阜师范大学优秀学士学位论文指导教师（2009.6）
山东高等学校优秀科研成果三等奖（首位，2012.12，2011.12）
山东高等学校优秀科研成果三等奖（第二位，2009.12）
山东省优秀博士学位论文（2007.7）
山东省优秀毕业生（2006.6）
山东大学优秀毕业生（2006.6）
山东大学十大新闻人物提名奖（2006.1）
中国青少年科技创新奖（2005.8）
中国科学院奖学金（2004.12）
江元生院士理论化学奖学金（2004.6，2005.6，2006.6）
v 承担或参与的教学科研项目
山东省自然科学基金（ZR2021MB030），主持，2022.1–2024.12
山东省研究生教育质量提升计划（SDYKC21101），主持，2021.10–2024.10
国家自然科学基金（21577076），主持，2016.1–2019.12
国家重点实验室开放课题（中科院生态环境研究中心），主持，2014.1–2015.12
山东省自然科学基金（ZR2014BM020），主持，2015.1–2017.10
国家自然科学基金（21003082），主持，2011.1–2013.12
山东省博士基金（BS2010NJ009），主持，2010.10–2012.12
中国博士后科学基金会（20100481254），主持，2010.12–2012.12
山东省高校科技计划项目（J09LB01），主持，2009.12–2012.12
教育部重点实验室开放课题（山东大学），主持，2008.1–2009.12
国家自然科学基金（21173126），第二，2012.1–2015.12
国家自然科学基金（20573063），第三，2006.1–2008.12
山东省自然科学基金（ZR2009BM037），第二，2009.12–2012.12
山东省自然科学基金（Y2007B23），第二，2007.12–2010.12
山东省博士基金（BS2009HZ014），第二，2009.12–2012.12
山东省高校科技计划项目（J11LB06），第二，2012.1–2014.12
v 代表性学术论文（均为SCI收录）
@ Wang YH*, Wang WH, Zhang ZQ, Li P*. The sorption and separation mechanismof CO2 in covalent organic frameworks with different aligned structures: DFT and molecular dynamic simulations.
Applied Surface Science, 2022, 571, 151355.
@ Wang YH*, Wang WH, Yang G*, Zhang ZQ, Li P*. The theoretical study of mechanical property and thermostability analysis of poly(vinyl alcohol)/graphene oxide nanofiber composites with different architecture: Molecular dynamics simulation.
Polymer Composites, 2021, 42(12), 6478-6487.
@ Xing XF, Liu CQ, Ali A, Kang BT, Li P*, Ai HQ*. Novel disassembly mechanisms of sigmoid Ab42 protofibrils by introduced neutral and charged drug molecules.
ACS Chemical Neuroscience, 2020, 11, 45-56.
@ Wang YH*, Wang WH, Zhu SY, Yang G*, Zhang ZQ, Li P*. The evolution of the thermodynamic property of graphene oxide nanofiber coated poly(vinyl alcohol) resin surface by the molecular dynamic simulations.
Journal of Molecular Liquids, 2020, 316, 113723.
@ Bai NN, Wang WH*, Zhao Y, Feng WL, Li P*. Theoretical insights into the reaction mechanism between 2,3,7,8-tetrachlorodibenzofuran and hydrogen peroxide: A DFT study.
ACS Omega, 2019, 4(1), 358-367.
@ Zhao Y, Wang WH*, Feng WL, Wang WL, Li P*. Theoretical insights into the interaction mechanisms between nitric acid and nitrous oxide initiated by an excess electron.
Journal of Physical Chemistry A, 2018, 122(37), 7312-7319.
@ Wei WJ, Wang WH*, Xu KN, Feng WL, Li XP, Li P*. Theoretical insights into the reaction mechanisms between 2,3,7,8-tetrachlorodibenzofuran and the methylidyne radical.
RSC Advances, 2018, 8(38), 21150-21163.
@ Xu KN, Wang WH*, Wei WJ, Feng WL, Sun Q, Li P*. Insights into the reaction mechanism of Criegee intermediate CH2OO with methane and implications for the formation of methanol.
Journal of Physical Chemistry A, 2017, 121(38), 7236-7245.
@ Wang WH, Zhang XX, Li P*, Sun Q*, Li Z, Reng C, Guo C. CO2 capture and separation from N2/CH4 mixtures by Co@B8/Co@B8– and M@B9/M@B9– (M = Ir, Rh, Ru) clusters: A theoretical study.
Journal of Physical Chemistry A, 2015, 119(4), 796-805.
@ 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 in China Series 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.
@ 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.
@ Li P, Bu YX, Ai HQ. Density functional studies on conformational behaviors of glycinamide in solution.
Journal of Physical Chemistry B, 2004, 108(4): 1405-1413.
@ Li P, Bu YX, Ai HQ, Cao ZH. Acid-base behavior study of glycinamide using density functional theory.
Journal of Physical Chemistry A, 2004, 108(18): 4069-4079.
@ Li P, Bu YX, Ai HQ. Theoretical determinations of ionization potential and electron affinity of glycinamide using density functional theory.
Journal of Physical Chemistry A, 2004, 108(7): 1200-1207.
@ Li P, Bu YX, Ai HQ. Conformational study of glycine amide using density functional theory.
Journal of Physical Chemistry A, 2003, 107(33): 6419-6428.
