This work is aimed at studying the fundamentals ensuring the formation of high-quality functional printed copper layers at low temperatures. The paper describes the decomposition of copper formate and its ligand-based complexes: ammonia, ethylamine, diethylamine, and pyridine. Structural and thermal features of the samples were studied by differential thermal analysis, thermogravimetric analysis, and X-ray diffraction analysis. Based on the results of experimental data and quantum-chemical calculations as well, the main features of the reactions of decomposition of the studied samples have been proposed. Aspects of the main factors reducing the decomposition temperature of complex compounds have been identified and described. Based on the results of the study, a selfconsistent model which describes the limits of the existing models of the decomposition process of copper formate and its complex compounds is proposed in the work.

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Higher lipophilicity facilitates the passage of a substance across lipid cell membranes, the blood–brain barrier and protein binding, and may also indicate its toxicity. We proposed eight methods for predicting the lipophilicity of the 22 most commonly used organophosphate pesticides. In this work, to determine the lipophilicity and thermodynamic parameters of the solvation of pesticides, we used methods of density functional theory with various basis sets, as well as modern Grimm methods. The prediction models were evaluated and compared against eight performance statistics, as well as time and RAM used in the calculation. The results show that the PBE-SVP method provided the best of the proposed predictive capabilities. In addition, this method consumes relatively less CPU and RAM resources. These methods make it possible to reliably predict the ability of pesticide molecules to penetrate cell membranes and have a negative effect on cells and the organism as a whole.

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