Abstract
Different methods of introducing correction factors into parameters of atom-atom potentials of intermolecular interaction used for calculation of thermodynamic characteristics of adsorption by the semiempirical molecular statistical theory were compared. A method of isostructural fragments based on the application of the atom-atom potential corrected for the molecular fragment was suggested for introducing the correction factors. The advantages of this method were demonstrated for chlorobenzenes, chlorodioxines, and chlorobiphenyls.
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