TTM2-F water clusters

Putative global minima of TTM2-F*** (H2O)n clusters*, **

 

Oxygen atoms in blue mark molecules inside a clathrate like cage.

  • All structures have been visualized with XMakemol
  • *B.Bandow, B.Hartke, J. Phys. Chem. A 110 (2006) 5809-5822
  • **B. Bandow, Ph.D. Thesis: Globale Geometrieoptimierung von Wasserclustern, Kiel (2007)
  • ***C.J. Burnham, S.S. Xantheas, J. Chem. Phys. 116 (2002) 5115