• Title of article

    Nuclear reactivity and nuclear stiffness in density functional theory

  • Author/Authors

    Ordon، نويسنده , , Piotr and Komorowski، نويسنده , , Ludwik، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    6
  • From page
    22
  • To page
    27
  • Abstract
    The nuclear reactivity has been identified with the derivative of the chemical potential (electronegativity) versus the deformation. A similar derivative of hardness has been proposed as a novel density functional theory index, nuclear stiffness. Both quantities have been calculated for a set of diatomic molecules. They provide information on the susceptibility of the molecule to attack in a collinear reaction.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1774563