Global
minima of (C60)nCa2+, (C60)nF-,
and (C60)nI- clusters
We model the clusters by a
Girifalco potential for the C60 intermolecular potential
along with a polarization potential,
which depends of the first non-vanishing C60 multipole
polarizabilities.
Ions:
Pictures of
the structure of the ion coordination compounds.
Pictures of
the some relevant structures of (C60)nX complexes.
Points files for each
minimum are
accessible from the Table.
The work described on the above pages has been published in
- J.
Hernández-Rojas, J. Bretón, J.M. Gomez Llorente and D.J.
Wales, Chem. Phys. Lett. 410, 404 (2005)
Global
minima of (C60)nCa2+,
(C60)nF-, and (C60)nI-
clusters
If you can improve on any of the results given in these pages email me,
and I will update the database.
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Cambridge Cluster Database.
J. Doye © 1996