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The possibility to predict the stability constants of the complexes of magnesium, zinc, cadmium, and lead cations with anions of different carboxylic acids by PM3 calculations was investigated. Linear correlation between calculated complexformation reaction enthalpies and experimentally measured stability constants were obtained for complexes of each metal, while the overall correlation was not satisfactory.

ABSTRACT:The possibility to predict the stability constants of the complexes of magnesium, zinc, cadmium, and lead cations with anions of different carboxylic acids by PM3 calculations was investigated. Linear correlation between calculated complexformation reaction enthalpies and experimentally measured stability constants were obtained for complexes of each metal, while the overall correlation was not satisfactory.

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