Abstract
A procedure for deriving molecular interaction energy functions from known equilibrium properties of crystals is described. Formic acid is successfully used as a model test system. The known equilibrium properties of formic acid which were employed are: the average molar internal energy, the minimum nature of the internal energy, and the lack of rotatory motion of each of the molecules in the crystal. The molecular interaction energy functions are represented as pairwise sums of atom-atom terms, which in turn are expressed as 1-4-6-12 inverse power expansions of atom-atom distances.
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