• Title of article

    Archimedene

  • Author/Authors

    Schulman، نويسنده , , Jerome M. and Disch، نويسنده , , Raymond L.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1996
  • Pages
    4
  • From page
    813
  • To page
    816
  • Abstract
    The geometry and energetics of archimedene, a C120 fullerene, are studied at the HF/STO-3G and AM1 levels. Both methods produce a structure of Ih symmetry containing 12 decagons, 30 rectangles and 20 hexagons. The latter are cyclohexatriene-like benzene rings. The 1Ag closed-shell electronic state has a HOMO-LUMO gap similar to those found in other fullerenes, such as C60 and C70.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1996
  • Journal title
    Chemical Physics Letters
  • Record number

    1771830