• Title of article

    Applications and validations of the Minnesota density functionals

  • Author/Authors

    Zhao، نويسنده , , Yan and Truhlar، نويسنده , , Donald G.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2011
  • Pages
    13
  • From page
    1
  • To page
    13
  • Abstract
    We discuss and review selected recent applications and validations of the Minnesota density functionals, especially the M06 family, emphasizing nanochemistry, organic, inorganic, and biological chemistry, and catalysis and highlighting the broad accuracy of these functionals as compared to previous popular functionals for thermochemistry, kinetics, and noncovalent interactions.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2011
  • Journal title
    Chemical Physics Letters
  • Record number

    1930698

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1930698