• Title of article

    Hybridization effect on chemical potential and hardness — a quantum chemical study

  • Author/Authors

    Kolandaivel، نويسنده , , P. and Arulmozhiraja، نويسنده , , S. and Bhuvaneswari، نويسنده , , R.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1996
  • Pages
    4
  • From page
    138
  • To page
    141
  • Abstract
    The hybridization effect on two important quantities, chemical hardness abd chemical potential, has been studied by HF-SCF theory using a 6-31G basis set. The maximum hardness principle has been tested for CC and CH symmetric stretching with positive and negative mean amplitudes of vibration. For the above study, three different types of hybrid orbital molecules, CH4, C2H6, C2H4, and C2H2, have been used.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1996
  • Journal title
    Chemical Physics Letters
  • Record number

    1777965