Croatica Chemica Acta

نویسندگان

  • S. Dukan
  • S. DUKAN
چکیده

A simple effective atom-atom intermolecular potential for halogene solids (F2, Cl-, Br2 and 12) is proposed. The centers of inter action of the effective potential (6-exp type) are shifted from' the atomic sites in order to reduce anisotropy of the intermolecular distances. The calculated results of the static properties for fluorine and chlorine are in good agreement with the experimental results. The calculated results for bromine and iodine crystals are less satisfactory. The limitations of the atom-atom model for description of the dynamical properties of halogene solids are also briefly discussed.

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تاریخ انتشار 2016