Noncentral interactions and thermodynamic properties of <i>β</i>-O2

The libron spectrum and librational heat capacity of solid β-oxygen have been calculated in the quasiharmonic approximation. An fcc structure with one molecule per unit cell, with molecular centers of mass fixed at the lattice sites, and the equilibrium direction of the axes coinciding with one of the third order axes, was considered as a model of β-O2. The noncentral interaction parameters of oxygen molecules were determined by comparing theoretical and experimental results.

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