• Title of article

    (HX)2 species (X=F through At) in the groups of the periodic system:: MP2 and CCSD(T) ab initio quantum chemical calculations

  • Author/Authors

    Burda، نويسنده , , Jaroslav V and Hobza، نويسنده , , Pavel and Zahradn??k، نويسنده , , Rudolf، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    5
  • From page
    20
  • To page
    24
  • Abstract
    (XH)2 species (X=F through At) were studied ab initio using the CCSD(T) and MP2 procedures. All-electron calculations were performed for X=F, Cl and Br while average relativistic effective potentials were used consistently for all the halogens. All (HX)2 structures are H-bonded; the HX…XH structures are less stable.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1773323