• شماره ركورد كنفرانس
    4865
  • عنوان مقاله

    Dynamic and Kinetic Parameters of NH + H _ 2 Reaction on an Interpolated Potential Energy Surface

  • پديدآورندگان

    Padasha Rahman rahmanp7@yahoo.com Yasouj University , Ramazania Shapour ramazani@yu.ac.ir Yasouj University

  • تعداد صفحه
    2
  • كليدواژه
    Reaction dynamics , Cross section , Reaction probability , Imidogen radical
  • سال انتشار
    1398
  • عنوان كنفرانس
    بيست و دومين كنفرانس ملي شيمي فيزيك ايران
  • زبان مدرك
    انگليسي
  • چكيده فارسي
    Collision of NH radical with H _ 2 molecule was studied on an interpolated potential energy surface using ab-initio calculation. The classical trajectory was studied on this surface to determine the reaction probability. Reaction probability was used to calculate others observable properties like rate constant and cross section. Nonlinear least-squares ftting was also used to calculate the rate constants expressions.
  • كشور
    ايران