Table of (C60)nCa2+ clusters

The energies and point groups (PG) of the lowest energy minima of (C60)n Ca2+  found for n≤13.

The unit of energy is in eV and the unit of distance is the effective radius Rf (Rf=4.75 Angstrom).

Click on a label to obtain the Cartesian coordinates of a minimum.
 


n
PG
Energy
1
Cinftyv
-4.06278
2
Dinftyh -6.82962
3
D3h -8.63953
4
Td -9.69459
5
C3v -10.65115
6
C2v -11.60481
7
C2v -12.76216
8
Cs -13.71017
9
C2v -14.84013
10
C3v -15.92627
11
Cs -16.98252
12
Cs -18.11441
13
Cs -19.27842


[Back]Return to The Cambridge Cluster Database.
J. Doye © 1997