“Journal of Molecular Modeling” has published an article titled “CX3COOH (X = F, Cl, H), a three – component catalytic activity of cyclocondensation” (https://doi.org/10.1007/s00894-019-4059-7,https : ///link.springer.com/article/10.1007/s00894-019-4059-7) by Associate Professor Afsun Sujayev, head of laboratory at the Institute of Chemistry of Additives of ANAS, Doctor of Philosophy in Chemistry, Associate Professor Yusif Abdullaev, leading researcher at the Institute of Petrochemical Processes of ANAS, Head of Department of Baku Engineering University, Doctor of Philosophy in Chemistry, and Yohen Iyhen, senior researcher of the Department of Chemistry in Buffalo University .
The article describes the experimental-theoretical mechanism of three-component condensation of triazine-2 reactions with quantum-chemical calculations as a result of joint research in the field of technical capabilities of the Center of Computer Science at the University of Buffalo.
The article is based on the grant project “Creation of new antioxidants with a combined effect enhancing oil products” funded by the SOCAR Science Fund (grant No. CHE 1560881).
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