Table of (C60)nLiCl clusters

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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J. Doye © 1997