• Title of article

    Does ozone have a barrier to dissociation and recombination?

  • Author/Authors

    Hernلndez-Lamoneda، نويسنده , , R. and Salazar، نويسنده , , Michael R. and Pack، نويسنده , , R.T.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    5
  • From page
    478
  • To page
    482
  • Abstract
    The barrier associated with the dissociation and recombination of ozone has been calculated using highly correlated ab initio methods. Our calculations show that, for fixed equilibrium values of the bending angle and one bond distance, there is a very small barrier, 100 cm−1, as opposed to much larger values previously reported. When the saddle point geometry is optimized, the reaction path still contains a barrier but the top of the barrier lies below the dissociation limit.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1780230