Quantum-Chemical Evaluation of the Energies of Solvation of Humic Substances in Various Solvents
Abstract
Abstract The results of the DFT ( b 3 lyp / sto -3 g *) quantum-chemical calculations of solvation energies of humic substances in organic solvents and water based on a structural model of humic acids are presented. It was shown that the solvation of humic substances depends on their quantitative functional composition. It was proposed to use the results obtained for the fractionation of these natural compounds and for target-oriented changes in their properties.
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