• Title of article

    Effect of electric field on the global and local reactivity indices

  • Author/Authors

    Parthasarathi، نويسنده , , R. Shankar Subramanian، نويسنده , , V. and Chattaraj، نويسنده , , P.K.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    9
  • From page
    48
  • To page
    56
  • Abstract
    We present a comprehensive study of electric field effects on the global and local chemical reactivity indices. We use the effect of an applied uniform electric field on chosen molecules and stockholder population scheme to derive the local reactivity profiles. We find that the changes in the pattern of reactivity indices are strongly influenced when the electric field is applied to the system, this effect being more noticeable as the number of atoms in the molecule increases as well as the strength of the applied field. The field-induced polarization leads to changes in the global and local reactivity descriptors.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1784420