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Journal of Structural Chemistry

2008 year, number 2

DEPENDENCE OF ENERGIES ON THE BOND LENGTHS IN MOLECULES AND CRYSTALS

S. S. Batsanov
Keywords: molecule, crystals, binding energy, interatomic distance, force constant, elasticity modulus, structure inheritance
Pages: 309-316

Abstract

The dependence of the binding energies in molecules and crystals on the interatomic distances near the equilibrium position was established in the framework of the Mie equation using the force constants of molecules and the elasticity moduli of solids. To evaluate the repulsion forces, we used the Morse function for molecules and the Born-Landé approach for ionic crystals.