The energies and point groups (PG) of the lowest energy minima of (C60)n Li+ 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 |
-1.425121 |
| 2 |
C2v | -2.480690 |
| 3 |
D3h | -3.197857 |
| 4 |
C3v | -4.063961 |
| 5 |
Cs | -4.935797 |
| 6 |
C3v | -5.839957 |
| 7 |
C2v | -6.923045 |
| 8 |
C1 | -7.796731 |
| 9 |
C1 | -8.878101 |
| 10 |
C1 | -9.904019 |
| 11 |
C1 | -10.938862 |
| 12 |
C1 | -12.038584 |
| 13 |
C2v | -13.201811 |
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