Table of (C60)nKCl clusters

The energies and point groups (PG) of the lowest energy minima of (C60)n KCl  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
-5.358930
2
Cs -5.812063
3
Cs -6.520181
4
Cs -7.356447
5
C1 -8.197268
6
C3v -9.236732
7
Cs -10.136848
8
Cs -11.037578
9
C1 -12.076901
10
C1 -13.078651
11
C1 -14.097773
12
C3v -15.232349
13
C1 -16.435375


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J. Doye © 1997