STRUCTURAL-PROPERTIES OF (SF6)(13) AND (SF6)(55) CLUSTERS BY MOLECULAR-DYNAMICS SIMULATION

Isolated (SF6)55 clusters, as studied by computer simulation, exhibit a phase behavior which is essentially similar to the bulk material. Conversely, the molecular packing of (SF6)(13) is close-to-icosahedral. No sign of a transition with coexistence of rigid and non-rigid states was found in (SF6)(13). We conclude that polyatomic van der Waals systems may exhibit quite different phase behaviors than the more commonly studied atomic ones.