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

Academic Article

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. © 1995.
  • Authors

    Digital Object Identifier (doi)

    Author List

  • Taylor PR; Bylaska E; Weare JH; Kawai R
  • Start Page

  • 558
  • End Page

  • 563
  • Volume

  • 235
  • Issue

  • 5-6