• Title of article

    Ab initio studies of MHen+(M=Be, Mg; n=1–4) complexes

  • Author/Authors

    Bu، نويسنده , , Xinping and Zhong، نويسنده , , Chongli and Jalbout، نويسنده , , A.F، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2004
  • Pages
    5
  • From page
    410
  • To page
    414
  • Abstract
    The MHen+(M=Be, Mg) complexes with n=1–4 were investigated by ab initio calculations at the levels of HF, MP2 and MP2(full)/6-311+G(3df, 3pd). The complexes were found to be stable, and the calculated results show that the C3V geometry is stable for the MHe3+ complexes, and the C2V geometry is stable for the MHe4+ complexes.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2004
  • Journal title
    Chemical Physics Letters
  • Record number

    1783682