• Title of article

    Which density functional should be used to model hydration?

  • Author/Authors

    Hall، نويسنده , , Richard J. and Hillier، نويسنده , , Ian H. and Vincent، نويسنده , , Mark A.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    5
  • From page
    139
  • To page
    143
  • Abstract
    The ability of a range of density functionals, which do not include Hartree–Fock exchange, to describe aqueous solvation energetics has been tested. No good universal functional has been identified.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1781889

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1781889