姓名李泽生
性别男
出生年月1954年9月
职务职称教授
联系电话010-68918670
传真010-68918670
电子邮件zeshengli@bit.edu.cn
主要经历
1978-1982年吉林大学物理系学士
1982-1984年吉林大学理论化学研究所硕士
1984-1987年吉林大学理论化学研究所博士
1987-1988年吉林大学理论化学研究所讲师
1988-1990年吉林大学化学博士后流动站博士后
1988-1990年吉林大学理论化学研究所副教授
1990-2008年吉林大学理论化学研究所教授
1993-2008年吉林大学理论化学研究所教授、博导
1999-2008年吉林大学理论化学研究所教授、****
2008-2010年哈尔滨工业大学教授、****
2010-2011年北京理工大学教授、****
研究方向
主要从事理论化学基础理论及应用等研究工作，包括量子化学多体理论、含时多体理论及应用、重要离子—分子反应微观机理、高分子固化和标度理论、太阳能染料敏化电池的理论设计、大气气溶胶表面动力学过程的理论化学计算模拟、生物大分子的结构与功能关系及催化机理的理论研究等领域。
承担课题
主持或作为主要完成人，已承担了19项省部级以上科研项目，包括主持973“十二五”重大导向项目第一课题，国家自然科学基金重点项目、面上项目、教育部优秀青年教师跟踪基金、霍英东青年教师基金等。
主要成果
1.Wei-WeiLiu,Xiao-LinWang,Shi-LuChen,Yun-HongZhang,Ze-ShengLi*,Theoreticalstudiesonreactionmechanismofsulfuricacidandammoniaandhydrationof(NH₄)₂SO₄,revisedbyTheo.Chem.Acc,2011.
2.Ming-HuiLi,QuanLuo,Xiang-GuiXue,Ze-ShengLi*,TowardafullstructuralcharacterizationofG-quadruplexDNAinaqueoussolution:MoleculardynamicssimulationsoffourG-quadruplexmolecules,J.Mol.Struc-Theochem.,952:96-102,2010.
3.Ming-HuiLi,QuanLuo,Ze-ShengLi*,Moleculardynamicsstudyontheinteractionsofporphyrinwithtwoantiparallelhumantelomericquadruplexes,J.Phys.Chem.B,114:6216-6224,2010.
4.MinZhang,YanLi,Ze-ShengLi*,Jia-ZhongSun,TheoreticalstudyontheinfluenceofancillaryligandonthespectroscopicpropertiesandelectronicstructuresofphosphorescentPt(II)complexes,Int.J.QuantumChem,110:1142-1151,2010.
5.Ming-HuiLi,Yi-HanZhou,QuanLuo,Ze-ShengLi*,The3DstructuresofG-QuadruplexesofHIV-1integraseinhibitors:moleculardynamicssimulationsinaqueoussolutionandinthegasphase,J.Mol.Model.,16:645-657,2010.
6.QuanLuo,Yi-HanZhou,YuanYao,Ze-ShengLi*,TheoreticaldesignofcatalyticdomainofabzymeSe-scFv2F3byintroducingacatalytictriad,Chem.Res.ChineseU,26:118-121,2010.
7.LeiYang,Jing-YaoLiu,Su-QinWan,Ze-ShengLi*,TheoreticalstudiesofthereactionsofCF₃CHCLOCHF₂/CF₃CHFOCHF₂withOHradicalandClatomandtheirproductradicalswithOH,J.Comput.Chem.,30:565-580,2009.
8.ChengLuo,Wei-NaDu,Xue-MeiDuan,Jing-YaoLiu,Ze-ShengLi*,Theoreticalstudyontheexcitedstatesandphotodissociationmechanismofdimethyldisulfide,Chem.Phys.Lett.,469:242-246,2009.
9.YuanYao,Wei-WeiHan,Yi-HanZhou,QuanLuo,Ze-ShengLi*,CatalyticReactionMechanismofHumanPhotoreceptorRetinolDehydrogenase:ATheoreticalStudy.J.Theor.&Comput.Chem,7:565-578,2008.
10.Wei-NaDu,ChengLuo,Ze-ShengLi*,Thephotodissociationmechanismsofacrylonitrile:Abinitiocalculationsonreactionchannelsandsurfaceintersections,J.Chem.Phys.,129:173409,2008.
11.ChengLuo,Wei-NaDu,Xue-MeiDuan,Ze-ShengLi*,Atheoreticalstudyofthephotodissociationmechanismofcyanoacetyleneinitslowestsingletandtripletexcitedstates,Astrophys.J.,687:726-730,2008.
12.ChengLuo,Xue-MeiDuan,Jing-YaoLiu,Ze-ShengLi*,ACASSCFandCASPT2studyontheexcitedstatesofs-trans-formaldazine,J.Phys.Chem.A,112:8979-8985,2008.
13.LiWang,Jing-YaoLiu,Ze-ShengLi*,AbinitiodirectdynamicsstudiesonthehydrogenabstractionreactionsofCF2H2andCF3HwithFatom,Chem.Phys.,351:154-158,2008.
14.LeiYang,Jing-YaoLiu,Ze-ShengLi*,Theoreticalstudiesofthereactionofhydroxylradicalwithmethylacetate,J.Phys.Chem.A,112:6164-6172,2008.
15.LeiYang,Jing-YaoLiu,Ze-ShengLi*,Computationalstudieson-themechanismsanddynamicsofOHreactionswithCHF2CHFOCF3andCHF2CH2OCF3,J.Chem.Theo.Comput.,4:1073-1082,2008.
16.QuanLuo,Yi-HanZhou,Wei-WeiHan,YuanYao,Ze-ShengLi*,The3Dstructureofthedefense-relatedriceproteinPir7bpredictedbyhomologymodelingandligandbindingstudies,J.Mol.Mod.,14:559-569,2008.
17.LiWang,Jing-YaoLiu,Su-QinWan,Ze-ShengLi*,Theoreticalstudyonthereactionofbromine-substitutedethaneswithhydrogenatoms,Chem.Phys.Lett.455:20-25,2008.
18.Xiao-LinWang,Hu-JunQian,Li-JunChen,Zhong-YuanLu,Ze-ShengLi*,Dissipativeparticledynamicssimulationonthepolymermembraneformationbyimmersionprecipitation,J.Membr.Sci,311:253-258,2008.
19.Yue-MengJi,Xiao-LeiZhao,Jing-YaoLiu,Ze-ShengLi*,TheoreticaldynamicstudiesonthereactionsofCH₃C(O)CH_3-nCl_n(n=0-3)withthechlorineatom,J.Comput.Chem.29:809-819,2008.
20.LeiYang,Jing-YaoLiu,LiWang,Hong-QingHe,YingWang,Ze-ShengLi*,TheoreticalstudyofthereactionsCF₃CH₂OCHF₂+OH/Clanditsproductradicalsandparentether(CH₃CH₂OCH₃)withOH,J.Comput.Chem.29:550-561,2008.
21.JiaLiu,Xiao-LinZhao,LiZhao,GangZhang,Zhong-YuanLu,Ze-ShengLi*,Theabsorptionanddiffusionofpolyethylenechainsonthecarbonnanotube:Themoleculardynamicsstudy,J.POLYMERSCI.PARTB-POLYMERPHYS,46:272-280,2008.
22.WangYing,Jing-YaoLiu,Ze-ShengLi*,AbinitiodirectdynamicsstudiesonthereactionsofchlorineatomwithCH3-nFnCH2OH(n="1-3),J.Comput.Chem.28:2517-2530,2007.
23.WangYing,Jing-YaoLiu,LeiYang,Xiao-LeiZhao,Yue-MengJi,Ze-ShengLi*,TheoreticalstudiesandrateconstantcalculationsofthereactionsC2F5CHOwithOHradicalsandClatoms,J.Mol.Struc-Theochem.820(1-3):26-34,2007.
24.YuanYao,Wei-WeiHan,Yi-HanZhou,Ze-ShengLi*,QiangLi,Da-fangZhong,MoleculardockingstudyoftheaffinityofCYP2C9andCYP2D6forimrecoxib,J.Theor.&Comput.Chem,6(3):541-548,2007.
25.Wei-WeiHan,Yi-HanZhou,YuanYao,Ze-ShengLi*,Thethree-dimensionalstructureofhumanaurora-Ckinasepredictedbyhomologymodeling,J.Mol.Struc-Theochem.815(1-3):87-93,2007.
26.Yue-MengJi,Ze-ShengLi^*,Jing-YaoLiu,OnthekineticmechanismofreactionsofhydroxylradicalwithCHF₂CH_3−nF_n(n=1–3),Theo.Chem.Acc,118(2):315-323,2007.
27.Wei-WeiHan,Yi-HanZhou,QuanLuo,YuanYao,Ze-ShengLi*,Onthe3DstructureandcatalyticmechanismstudyofAmiFformamidaseofHelicobacterpylori,Polymer,48(13):3726-3731,2007.
28.YingWang,Jing-YaoLiu,LeiYang,Xiao-LeiZhao,Yue-MengJi,Ze-ShengLi*,DirectdynamicsstudiesonhydrogenabstractionreactionsofCH3CHFCH3andCH3CH2CH2FwithOHradicals,J.Phys.Chem.A111(32):7761-7770,2007.
29.Yan-DongHe,Hu-JunQian,Zhong-YuanLu,Ze-ShengLi*,Polymertranslocationthroughananoporeinmesoscopicsimulations.Polymer,48(12):3601-3606,2007.
30.YingWang,Jing-YaoLiu,Ze-ShengLi*,DirectdynamicsstudyonhydrogenabstractionreactionofCF3CHOHCF3withOHradical,Chem.Phys.335(1):28-36,2007.
31.YuanYao,Wei-WeiHan,Yi-HanZhou,Ze-ShengLi*,QiangLi,Xiao-YanLi,Xiao-YanChenandDa-FangZhong,Theinhibitioneffectof20(S)-Protopanaxadiol(PPD)andGinsenosideRh2forCYP2C9andCYP3A4,Polymer,48(9):2644-2648,2007.
32.Xiao-LeiZhao,Yue-MengJi,Ze-ShengLi*,YingWangandJing-YaoLiu,OnthekineticmechanismofCHF₂CHF₂andCHF₂CF₃withXatoms(X="F,"Cl)reactions,J.Mol.Struc-Theochem.,808(1-3):17-24,2007.