Boron Clusters  
Main B6 B8 B9 B10 B11 B12 B13 B14

  • Collaboration
    • John Weare, UCSD Chemsitry
  • Methods
    • Local Density Functional Method
    • Ab Initio Molecular Dynamics Simulation
    • Grobal Geometry Optimization by Simulated Annealing
  • Computational Resources
    • Cray C90 at SDSC
    • Cray C90 at NAVO
    • CM-5E at NRL
  • Publication
    • R. Kawai and J. H. Weare, Chem. Phys. Lett. 191, 311 (1992):
      "Anomalous Stability of B13 cluster"
    • R. Kawai and J. H. Weare, J. Chem. Phys. 95, 1151 (1991):
      "Instability of the B12$ icosahedral clusters: Rearrangement to a lower energy structure"
    • R. Kawai, M.-W. Sung, and J. H. Weare, in Physics and Chemistry of Finite Systems: From Clusters to Crystals, ed. by R. Jena et al. (Kluwer Academic, 1992) p. 441:
      "Structural Transition from Small Clusters to Bulk-like Structures. - Ab initio Molecular Dynamics Study of Li, Be, and B clusters -"