Table of (C60)nNa+ clusters

The energies and point groups (PG) of the lowest energy minima of (C60)n Na+  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 here for the global minima in xyz format.

n
PG
Energy
1
Cinftyv
-0.989151
2
C2v -1.858032
3
C3v -2.794956
4
Td -3.740822
5
C3v -4.608511
6
C2v -5.479573
7
C2v -6.585755
8
Cs -7.460319
9
Cs -8.540714
10
C3v -9.568408
11
Cs -10.593302
12
Cs -11.688967
13
Cs -12.822800


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J. Doye © 1997