The energies and point groups (PG) of the lowest energy minima of (C60)n K+ 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 |
-0.716193 |
| 2 |
C2v | -1.456328 |
| 3 |
C3v | -2.333590 |
| 4 |
Td | -3.362940 |
| 5 |
C3v | -4.230639 |
| 6 |
C2v | -5.101973 |
| 7 |
C2v | -6.223458 |
| 8 |
Cs | -7.098449 |
| 9 |
Cs | -8.191296 |
| 10 |
C3v | -9.203263 |
| 11 |
Cs | -10.259355 |
| 12 |
Cs | -11.345646 |
| 13 |
C3v | -12.493364 |
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