• Title of article

    Accurate D0 value for NF+

  • Author/Authors

    Ricca، نويسنده , , Alessandra، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1999
  • Pages
    5
  • From page
    80
  • To page
    84
  • Abstract
    An accurate D0 value is computed for NF+ using the RCCSD(T) approach. The value is refined by extrapolation to the basis set limit and by accounting for core-valence correlation and spin–orbit effects. The best estimate for the dissociation energy (D0) at 0 K is 127.61±1.0 kcal/mol and for the dissociation energy (D0) at 298 K is 128.79±1.0 kcal/mol.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1999
  • Journal title
    Chemical Physics Letters
  • Record number

    1776558

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1776558