• Title of article

    C20: fullerene, bowl or ring? New results from coupled-cluster calculations

  • Author/Authors

    Taylor، نويسنده , , Peter R. and Bylaska، نويسنده , , Eric and Weare، نويسنده , , John H. and Kawai، نويسنده , , Ryoichi، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1995
  • Pages
    6
  • From page
    558
  • To page
    563
  • Abstract
    Contrary to recent experimental evidence suggesting that the monocyclic ring is the most stable 20-atom carbon species, highly accurate calculations convincingly predict that the smallest fullerene, dodecahedral C20, has the lowest energy. A related corannulene-like bowl is nearly degenerate in energy to the fullerene. Thermodynamic considerations suggest that at formation temperatures of around 700 K the bowl should be the dominant species.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1995
  • Journal title
    Chemical Physics Letters
  • Record number

    1773253