Is C20 a cage, bowl, or ring?

  • Collaboration
    • Eric Bylaska and John Weare, UCSD Chemsitry
    • Peter Taylor, San Diego Supercomputer Center
  • Computer Resources
    • Ab Initio Molecular Dynamics Simulation Program
    • Cray C90 at SDSC
    • CM-5E at NRL
  • Publications
    • E. J. Bylaska, P. R. Taylor, R. Kawai, J. H. Weare, J. Phys. Chem. 100, 6966 (1996):
      "LDA Prediction of C20 Isomerizations: Neutral and Charged Species,"
    • R. Taylor, E. Bylaska, J. Weare, and R. Kawai, Chem. Phys. Lett. 235 558, (1995):
      "C20: Fullerene, Bowl, or Ring? New Results from Coupled-Cluster Calculations"
    • P. R. Taylor, E. Bylaska. J. Weare, and R. Kawai, in Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials eds. K. M. Kadish and R. S. Ruoff (The Electrochemical Society, 1994), p.331:
      "Fullerene is the lowest energy structure for C20",