Aa. Helmy et al., HIGH-PRESSURE PROPERTIES OF THE BCC PHASE OF SF(6) BASED UPON SPHERICALLY SMOOTHED INTERMOLECULAR POTENTIALS, Zeitschrift für physikalische Chemie, 187, 1994, pp. 203-211
Citations number
22
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Properties of solid SF6 at T = 0 K are investigated using different in
termolecular potentials. These potentials were constructed from differ
ent gas properties such as second virial coefficient, structural secon
d virial coefficient and viscosity data without appeal to any solid st
ate structural or spectroscopic data. A computer simulation study usin
g a simple lattice sum, on a body centered cubic lattice, has been use
d to obtain the sublimation energy, the equation of state and bulk mod
ulus (which appear not to be reported before).