Table of (C60)nLi+ clusters

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


[Back]Return to The Cambridge Cluster Database.
J. Doye © 1997