The energies and point groups (PG) of the lowest energy minima of (C60)n LiCl 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 |
-7.079313 |
| 2 |
Cs | -7.469329 |
| 3 |
Cs | -8.113328 |
| 4 |
Cs | -8.953198 |
| 5 |
C1 | -9.796059 |
| 6 |
C2v | -10.904327 |
| 7 |
Cs | -11.754033 |
| 8 |
C2v | -12.621317 |
| 9 |
C1 | -13.670302 |
| 10 |
C1 | -14.670302 |
| 11 |
C1 | -15.763900 |
| 12 |
Cs | -16.900254 |
| 13 |
Cs | -17.960465 |
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