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Author

Mikhail S. Bukharov

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Open access Jul 2026

Determination of the Formation Constants of Copper(II) Complexes Using Quantum Chemical Calculations

Gibbs free energy values obtained from quantum-chemical calculations were used to determine the formation constants of homo- and heteroligand copper(II) complexes with various ligands (amino acids, diimines, and phosphorylated dithiocarbamates) in an aqueous medium. A computationally robust, yet moderately expensive, l...

N. S. Aksenin, Mikhail S. Bukharov, V. Shtyrlin et al. · 0 citations

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