Chemical Research in Chinese Universities ›› 1996, Vol. 12 ›› Issue (2): 159-163.

• Articles • Previous Articles     Next Articles

Molecular Electronegativity in Density Functional Theory(V)——Relaionship Betweenthe Global and Harmonic Mean Electronegativities for a Molecle

YANU Zhong-zhi1, SHEN Er-zhong2, NIU Shu-yun1   

  1. 1. Department of Chemistry, Liaoning Normal University, Dalian 116022;
    2. Institute of Theoretical Chemistry, Jilin University, Changchun 130023
  • Received:1995-08-29 Online:1996-04-24 Published:2011-08-17
  • Supported by:

    Supported by the National Natural Science Foundation of China.

Abstract: The relationship between the global and harmonic mean electronegativities is discussed based on the effective atomic electronegativity which is defined in terms of density functional theory.

Key words: Density functional theory, Global electronegativity, Harmonic mean electronegativity, Effective atomic electronegativity, Charge distribution