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
the structure of the ion coordination compounds.
the some relevant structures of (C60)nX complexes.
Points files for each
accessible from the Table.
The work described on the above pages has been published in
Hernández-Rojas, J. Bretón, J.M. Gomez Llorente and D.J.
Wales, Chem. Phys. Lett. 410, 404 (2005)
minima of (C60)nCa2+,
(C60)nF-, and (C60)nI-
If you can improve on any of the results given in these pages email me,
and I will update the database.
Return to The
Cambridge Cluster Database.
J. Doye © 1996