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图片:李伟基教授

李伟基教授

化学荣休讲座教授


Email wkli@cuhk.edu.hk


教育背景

1964 理学士 伊利诺大学
1968 哲学博士 密支根大学

担任之职位

2006年至今 化学荣休讲座教授
1999-2006 化学讲座教授
1987-1999 教授
1976-1987 高级讲师
1968-1976 讲师

研究兴趣

利用半经验及从头计算分子轨道法研究特异分子之结构、能学及化学反应。


代表著作

  1. X.-H. Li, S.-J. Ren, X. Wei, Y. Zeng, G. Gao, Y. Ren, J. Zhu, K.C. Lau, and W.-K. Li,
    "Concerted or Stepwise Mechanism? New Insight into the Water-Mediated Neutral Hydrolysis of Carbonyl Sulfide,"
    J. Phys. Chem. A, Vol. 34, pp. 3503-3513 (2014).
  2. Y. Ren, X.-G. Wei, K.-C. Lau, N.-B. Wong, and W.-K. Li
    “The α -Effect Exhibited in Gas-phase SN2@N and SN2@C Reactions,”
    J. Comput. Chem., Vol. 34, pp. 1997-2005 (2013).
  3. S.-C. Xu, Y. Ren, L. Wan, W.-K. Li, N.-B. Wong, J.-X. Zhang, Q. Liao, and L. Ji, 
    “DFT Insight into the UV-Vis Spectra and Radical Scavenging Activity of Aurantio-obtusin,” 
    J. Theor. Comput. Chem., Vol. 12, 1350024 (15 pages) (2013)
  4. H. Zhou, M. Beuve, F. Yang, N.-B. Wong, and W.-K. Li
    “Theoretical Investigation on the Cylinder-shaped N66 Cage,” 
    Comp. Theor. Chem., Vol. 1005, pp. 68-74 (2013).
  5. B.K. Teo and W.-K. Li
    “Exotic Clusters Formed by Electrons and Positrons: Approximate Calculations of Binding Energies and Bonding Capabilities of Positronium Atom and Dipositronium and Positronium Hydrides Molecules Based on Their Hydrogen Analogs,” 
    J. Clust. Sci, Vol. 23, pp. 661-672 (2012).
  6. S. Geng, Y. Ren, N.-B. Wong, and W.-K. Li
    “Generalized Anomeric Effect on N-Alkylamino Cation Affinties: A G2(+)M Investigation,” 
    J. Phys. Chem. A, Vol. 116, pp. 3952-3958 (2012).
  7. W.-K. Li and S.M. Blinder,
    “Two-Parameter Variational Functions for the Helium Isoelectronic Series,"http://demonstrations.wolfram.com/
    TwoParameterVariationalFunctions
    ForTheHeliumIsoelectronicSer
    , Wolfram Demonstration Project, published April 12, 2012.
  8. Y. Ren, S. Geng, X.-G. Wei, N.-B. Wong, and W.-K. Li,
    “Comprehensive Theoretical Studies on the Gas Phase SN2 Reactions of Anionic Nucleophiles towards Chloroamine and N-Chlorodimethylamine with Inversion and Retention Mechanisms,
    J. Phys. Chem. A, Vol. 115, pp. 13966-13974 (2011).
  9. X.-G. Wei, X.-M. Sun, X.-P. Wu, S. Geng, Y. Ren, N.-B. Wong, and W.-K. Li,
    “Cooperative Effect of Water Molecules in the Self-catalyzed Neutral Hydrolysis of Isocyanic Acid: A Comprehensive Theoretical Study,” 
    J. Mol. Model., Vol. 17, pp. 2069-2082 (2011).
  10. X. Wang, K.-C. Lau, and W.-K. Li,
    “Doping Effects on Structural and Electronic Properties of Ladderanes and Ladder Polysilanes: A Density Functional Theory Investigation,”
    J. Phys. Chem. A, Vol. 115, pp. 7656-7663 (2011).
  11. B.K. Teo and W.-K. Li
    “The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations,”
    J. Chem. Educ., Vol. 88, pp. 921-928 (2011).
  12. Q.-G. Li, Y. Xue, Y. Ren, N.-B. Wong, and W.-K. Li,
    “Ab initio Computational Investigations on the Homodimerization and Keto-enol Tautomerism of the Monochalcogenocarboxylic Acids CH3C(=O)XH (X = Se, Se, Te) in the Gas Phase,”
    J. Theo. Comp. Chem., Vol. 10, pp. 41-51 (2011).
  13. W.-K. Li and S.M. Blinder,
    “Introducing Relativity into Quantum Chemistry,”
    J. Chem. Educ., Vol. 88, pp. 71-73 (2011).
  14. 麦松威,周公度,李伟基
    «高等无机结构化学»
    第一版, 北京:北京大学出版社/香港中文大学出版社,2001;共509页。
    第二版, 北京:北京大学出版社,2006;共679页。
    English edition: W.-K. Li, G.-D. Zhou and T.C.W. Mak, 
    “Advanced Structural Inorganic Chemistry,” 
    Oxford University Press, U.K., 2008; 819 + xx pages.
  15. W.-K. Li, Y.-S. Cheung, K.K.W. Mak, and T.C.W. Mak, 
    “Problems in Structural Inorganic Chemistry,” 
    Oxford University Press, U.K., 2013; 314 + x pages.
    中文版: 李伟基,李奇,张羽伸,麦建华,麦松威: 
    «无机结构化学习题» 
    北京:北京大学出版社,2013;共260页。