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李偉基教授

化學榮休講座教授


Email wkli@cuhk.edu.hk


教育背景
1964 理學士 伊利諾大學
1968 哲學博士 密支根大學

擔任之職位
2006年至今 化學榮休講座教授
1999-2006 化學講座教授
1987-1999 教授
1976-1987 高級講師
1968-1976 講師

研究興趣

利用半經驗及從頭計算分子軌道法研究特異分子之結構、能學及化學反應。


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. 麥松威，周公度，李偉基：
    «高等無機結構化學»
    第一版， 北京：北京大學出版社/香港中文大學出版社，2001；共509頁。
    第二版， 北京：北京大學出版社，2006；共679頁。
    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: 李偉基，李奇，張羽伸，麥建華，麥松威： 
    «無機結構化學習題» 
    北京：北京大學出版社，2013；共260頁。