Structural predictions for (C-60)(N) clusters with an all-atom potential
We calculate the structures of neutral (C60)N clusters up to N = 56 using an all-atom potential to test our prediction that face-centred-cubic geometries are favourable at small sizes due to the short range of the intermolecular potential. We find that above N = 17 the lowest energy structures are e...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Published: |
1997
|