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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