Azerbaijan National Academy of Sciences

In accordance with the priority directions provided by the Development Program of ANAS for 2020-2025, the Institute of Chemistry of Additives named after academician A. Guliyev conducts scientific research in the direction of using mathematical modeling and information technologies in the research of chemical technological processes.

International Collaborative Research, conducted by leading experts at the Center for Computer Research at the University of Buffalo in the United States, uses the power of modern computer software. The theoretical and experimental mechanisms of individual reactions of fine organic synthesis are studied in detail using quantum chemical calculations. Theoretical predictions with theoretical functional density calculations for these reactions are tested experimentally. Comprehensive theoretical and experimental studies are being carried out in terms of simulating these chemical reactions using quantum chemical calculations.

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