Table of (C60)nCl-  clusters

The energies and point groups (PG) of the lowest energy minima of (C60)n Cl-  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
-0.441597
2
C2v -1.028675
3
C3v -1.815608
4
C3v -2.677630
5
C4v -3.600066
6
Oh -4.862567
7
C3v -5.726910
8
C2v -6.608194
9
Cs -7.489959
10
Cs -8.633816
11
Cs -9.780566
12
C3v -10.928207
13
C2v -11.935413


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J. Doye © 1997