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李 明
发布时间: 2015-12-21 09:49:28   作者:本站编辑   来源: 本站原创   浏览次数:


李明19577月),理学博士,教授,西南大学博士生导师。

       19827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,19857月获理学硕士学位。毕业后到西南师范大学化学系任教,199112月晋升为副教授,199412月晋升为教授。19969月考入四川大学化学系攻读物理化学专业博士学位,20006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。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。

 

电话:023-68253023

传真:023-68254000


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

 

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))。


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 WangTheoretical 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,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)36119 (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6413672006

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63,6862005

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), 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, 11282004

32     胡武洪,申伟,李明*CH2FCF3O(1D)反应机理的理论研究,化学学报62, 8542004

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), 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 andIntermediary StatesJ. 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)CF2HCl反应的理论研究,化学学报61, 12512003.