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西南大学博士研究生导师介绍:李明

姓  名:
李明
性别:
出生年月:
1957-7-0
工作单位:
西南大学
所在院系:
化学化工学院
职称:
教授
行政职务:
 
招生专业:
070304物理化学(含:化学物理)
研究领域:
量子化学
是否兼职:
指导博士生总数:
 
指导硕士生总数:
 
目前博士生数:
 
目前硕士生数:
 
 
  个人简介
  李明(1957年7月),理学博士,教授,西南大学博士生导师。
  1982年7月毕业于四川大学化学系,获理学学士学位。随后考入苏州大学化学系,攻读物理化学专业硕士学位,1985年7月获理学硕士学位。毕业后到西南师范大学化学系任教,1991年12月晋升为副教授,1994年12月晋升为教授。1996年9月考入四川大学化学系攻读物理化学专业博士学位,2000年6月获四川大学理学博士学位。2001年至今被聘为四川大学物理化学专业博士生导师及兼职教授。
  现任西南大学化学化工学院教授,西南师范大学学报(自然科学版)主编,西南大学学位委员会副主任,西南大学学术委员会委员,西南大学职称评定委员会委员,国务院政府特殊津贴获得者,西南大学副校长。任重庆市学位委员会委员,重庆市高等学校教师高级专业技术职务资格评审委员会委员,重庆市学术技术带头人,重庆市党外知识分子联谊会会长,重庆市政协副主席。
  主要从事物理化学专业量子化学方向的教学和研究工作,主持研究的"高温氧化物超导体的电子结构研究"项目获重庆市科学技术进步三等奖,指导的硕士论文《手性噁唑硼烷催化酮肟醚的不对称还原反应的量子化学研究》获由市教委、市学位委员会颁发的优秀学位论文奖。
  主要研究方向:从事有机导体材料的分子设计与模拟,表面吸附和不对称催化反应机理的理论研究工作。
  招生方向:物理化学专业/计算化学方向
 
 
  著作及论文
     在”Polymer”、” Chem. Phys.”、”Int. J. Quantum Chem”、”J. Mol. Model”、 ” Analyst”、”J. Mol. Struct. (THEOCHEM)”、” Mol. Simulat.”、” Materials Research Bulletin”、” Anal. Lett.”、” Anal. Sci.”、《中国科学(B)》、《化学学报》等国内外重要刊物上发表学术论文120余篇,其中80余篇被SCI收录引用。
  近期主要代表作:
  1.Wei Shen, Ming Li(李明*), Rongxing He, Jinsheng Zhang, Wei Lei, Ab initio study of the electronic and structural properties of linear poly-nonclassical bicyclic thiophene. Polymer, Accepted.
  2.Wei Shen, Ming Li(李明*), Ying Li, Silei Wang,Theoretical Study of Borazine and Its Derivatives Inorg. Chim. Acta 360,  619 (2007).
  3.Qingxi Meng, Ming Li(李明*), Jinsheng Zhang, Density Functional Computations of Enantioselective Alkynylation of Aldehyde Catalyzed by Chiral Zinc(II)-Complexes. J. Mol. Model., 12, 494 (2006).
  4.Qingxi Meng, Ming Li(李明*), Jinsheng Zhang, Wei Shen, Density Function Studies on the PtCl2-catalyzed Asymmetric Cycloisomerization Reaction of Hydroxylated Enyne. Intern. J. Quantum Chem. 106, 1569 (2006).
  5.Xiaoling Luo, Dianyong Tang, Ming Li(李明*),Revealing the Mechanism of Rh(I)-Catalyzed Hydroformylation of 4- Pyridylethene Derivatives: DFT Study. Intern. J. Quantum Chem. 106, 1844 (2006).
  6.Xiaoling Luo, Dianyong Tang and Ming Li(李明*),A Theoretical Study on Chemo- and Regioselective Rh-Catalyzed Hydroformylation and Hydrogenation of Propyne. J. Mol. Struct. (THEOCHEM), 763, 75 (2006).
  7.Qingxi Meng, Ming Li(李明*), Theoretical Insights of Copper(I) Carbenes. J. Mol. Struct. (THEOCHEM), 765, 13 (2006).
  8.Wei Shen, Ming Li(李明*), Hao Huang, Ying Li, Silei Wang, Thieno[3,4-f] isothianaphthene and its N-substitutes: a theoretical insight. Mol. Simulat., 32, 457 (2006).
  9.Ming Li(李明), Wenxu Zheng, Anmin Tian, Density functional study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Science in China (Series B), 49, 296 (2006).
  10.Xiaoling Luo, Dianyong Tang, Ming Li(李明),The carbonyl insertion reaction of ethyl Co(CO)n(PH3)4−n and vinylCo(CO)n(PH3)4−n: A detailed DFT study. J. Mol. Struct. (THEOCHEM), 765, 21 (2006).
  11.Qingxi Meng, Ming Li(李明), Density Function Studies on Cr(CO)3-catalyzed 1,3-Dipolar Cycloaddition of Nitrone and Alkene. J. Mol. Struct. (THEOCHEM), 765, 39 (2006).
  12.Ren Y., Li M.(李明), Wong N. B., Chu S. Y. Ab Initio computational insight into the ion pair SN2 reaction of lithium isothiocyanate and methyl fluoride in the gas phase and in acetone solution. J. Mol. Model., 12, 182 (2006)
  13.李明,郑文旭,田安民,噁唑硼烷催化前手性酮肟醚不对称还原反应的密度泛函研究,中国科学(B辑),36,119 (2006)
  14.吕文阳,李明*,申伟,罗小玲,翟巧玲,黄浩,钯含氮配合物催化烯烃芳基化反应的密度泛函研究,化学学报,64,1367(2006)
  15.Ming Li(李明), Dianyong Tang, Xiaoling Luo, Wei Shen, Mechanism of asymmetric hydrogenation of enamides with [Rh(BisP*)]+ catalyst: Model DFT study. Intern. J. Quantum Chem. 102, 53 (2005)
  16.Xiaoling Luo, Dianyong Tang, Ming Li(李明*),Computational Investigation on Enantio- and Regioselectivity of Rhodium-Catalyzed Asymmetric Hydroformylation of Vinyl Formate with CHIRAPHOS-type ligand. Intern. J. Quantum Chem. 105, 108 (2005)
  17.Xiaoling Luo, Dianyong Tang, Ming Li(李明*),Computational experiment on hydroformylation and hydrogenation of propenal catalysed by Rh complex: a competitive study. J. Mol. Struct. (THEOCHEM), 714, 61 (2005)
  18.Xiaoling Luo, Dianyong Tang, Ming Li(李明*),Computational experiment on hydroformylation and hydrogenation of ethyne catalyzed by Rh complex: a competitive study. J. Mol. Struct. (THEOCHEM), 714, 179 (2005)
  19.Dianyong Tang, Xiaoling Luo, Wei Shen, Ming Li(李明*), The mechanism of enantioselective palladium(0)-catalyzed allylic alkylation with chiral oxazolinylpyridines: a DFT study. J. Mol. Struct. (THEOCHEM), 716, 79 (2005)
  20.Rongxing He, Ming Li(李明*), Xiangyuan Li, On the regioselective mechanism of novel rearrangements of 1,6-enynes catalyzed by PtCl2: a DFT study. J. Mol. Struct. (THEOCHEM), 717, 21 (2005)
  21.Qingxi Meng, Ming Li(李明*), Jinsheng Zhang, The Computational Study on the Mechanism of Rhodium(I)-Catalyzed Asymmetric Carbonylative [4+1] Cycloaddition with (R,R)-Me-DuPHOS-type ligand: a DFT Study. J. Mol. Struct. (THEOCHEM), 726, 47 (2005)
  22.Xiaoling Luo, Dianyong Tang, Ming Li(李明*),A Comparative Theoretical Study on CO Insertion into Rh-C Bond. J. Mol. Struct. (THEOCHEM), 730, 177 (2005)
  23.Xiaoling Luo, Dianyong Tang, Ming Li(李明*),Quantum Investigation on the Mechanism of Isomerization of 1-butylene Catalyzed by Rh-complex. J. Mol. Struct. (THEOCHEM), 731, 139 (2005)
  24.张金生,孟庆喜,李明*,FC(O)O自由基与NO2反应的量子化学研究,化学学报,63,686(2005)
  25.Ren Y, Li M.(李明), Wong NB, Prototropic tautomerism of imidazolone in aqueous solution:A density functional approach using the combined discrete/self-consistent reaction field (SCRF) models. J. Mol. Model., 11, 167 (2005)
  26.刘绍璞,胡小莉,刘忠芳,李明,王芬,用共振Rayleigh散射光谱研究盐酸氯丙嗪和盐酸异丙嗪与核酸相互作用,中国科学(B辑), 35, 312 (2005).
  27.Qingxi Meng, Ming Li(李明*), Dianyong Tang, Wei Shen and Jinsheng Zhang, Density functional studies on copper-catalyzed asymmetric cyclopropanation of diazoacetate with alkene. J. Mol. Struct. (THEOCHEM), 711, 193 (2004)
  28.Ming Li(李明), Jinsheng Zhang, Wei Shen, Qingxi Meng, Quantum Chemical Study on Reaction of Acetaldehyde with Hydroxyl Radical. Chinese J. Chem., 22, 792 (2004)
  29.Qing Li, Ming Li(李明), Zhiqian Chen, Chunmei Li, Simple solution route to uniform MoS2 particles with randomly stacked layers. Materials Research Bulletin, 39, 981 (2004)
  30.Wenxu Zheng, Ming Li(李明), Anmin Tian. Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 5. The reduction process in which oxime is reduced first and carbonyl is reduced through a four-membered ring and a seven-membered ring intermediates. J. Mol. Struct. (THEOCHEM), 668, 13 (2004)
  31.李明,罗小玲,唐典勇,铑催化烯烃氢甲酰化反应的密度泛函研究,化学学报,62, 1128(2004)
  32.胡武洪,申伟,李明*,CH2FCF3与O(1D)反应机理的理论研究,化学学报,62, 854(2004)
  33.李明,田安民,亚胺不对称催化还原的量子化学研究,中国科学(B辑), 33, 33 (2003).
  34.Ming Li(李明), Anmin Tian, Quantum chemical study on asymmetric catalysis reduction of imine. Science in China (Series B), 46, 124 (2003).
  35.Ming Li(李明), Rongxing He, Density Functional Computations of Enantioselective Alkynylation of Aldehydes Catalyzed by Oxazaborolines. Part 1. Structures and Properties of Catalyst and Intermediary States. J. Mol. Struct. (THEOCHEM), 629, 197 (2003).
  36.Ming Li(李明), Rongxing He, Density Functional Computations of Enantioselective Alkynylation of Aldehydes Catalyzed by Oxazaborolines. Part 2. Structures of Transition States and the Mechanism ofEnantioselective Reduction. J. Mol. Struct. (THEOCHEM), 629, 209 (2003).
  37.Ming Li(李明), Wenxu Zheng, Rongxing He, Anmin Tian, Quantum Chemical Study on Enantioselective Reduction of Keto Oxime Ether with Borane Catalyzed by Oxazaborolidine. Part 2. Structures of Catalyst-Alkoxyborane Adduct with a 4-Membered Ring and Succeeding Reaction Intermediates. Intern. J. Quantum Chem. 93, 294 (2003).
  38.Ming Li(李明), Wenxu Zheng, Anmin Tian, Quantum Chemical Study on Enantioselective Reduction of Keto Oxime Ether with Borane Catalyzed by Oxazaborolidine. Part 3. Properties of Intermediates during Hydride Transfer. Intern. J. Quantum Chem. 93, 307 (2003).
  39.Wei Shen, Ming Li(李明*), Dianyong Tang. Reaction of O(3P) with ClONO2: a MP2 computation. J. Mol. Struct. (THEOCHEM), 663, 25 (2003).
  40.李明,申伟,唐典勇,O(1D)与CF2HCl反应的理论研究,化学学报,61, 1251(2003).
 
  承担项目
  在研科研项目:
  1.手性过渡金属配合物不对称催化反应机理研究,教育部重点科学技术项目(项目编号:104263,起止时间:2004.1-2006.12,经费:8万,项目负责人);
  2.新型高效金属材料缓蚀剂抗蚀机理及应用研究,重庆市自然科学基金重点项目(项目编号: CSTC-2004BA4024,起止时间:2004.12-2007.12,经费:20万,项目负责人);
  3.氢键、双氢键及分子间相互作用的理论研究,重庆市自然科学基金项目(项目编号:,起止时间:2004.6-2006.6,经费:2万,主研(2))。
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