• Title of article

    What is the most stable B24N24 fullerene?

  • Author/Authors

    Wu، نويسنده , , Hai-Shun and Jiao، نويسنده , , Haijun، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2004
  • Pages
    4
  • From page
    369
  • To page
    372
  • Abstract
    B3LYP/6-31G* density functional theory calculations have been carried out on the structure and stability of seven B24N24 clusters. It is found that the new proposed isomer with two octagons, sixteen hexagons and eight squares in S8 symmetry is more stable than the isomer with six octagons, eight hexagons and twelve squares in O symmetry by 60.4 kcal/mol, and the isomer with twenty hexagons and six squares in S4 symmetry by 2.8 kcal/mol. The fullerene-like isomer is much higher in energy (148.6 kcal/mol).
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2004
  • Journal title
    Chemical Physics Letters
  • Record number

    1783414