Volume 20 No 12 (2022)
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Durdona Kuchkarova, Mahammadzhon Soliev
This article discusses the mechanism of the thymol vinylation reaction in the presence of acetylene in an overbasic medium. The main results were obtained on the basis of quantum chemical calculations and are consistent with the experimental results. Quantum-chemical calculations and modeling of intermediate complexes were performed using the HyperChem 8 software package based on MM+ and the Gaussian09 software using RHF/6-31-G* and MP2/6-311++G**//B3LYP. /6-31+G* combined methods
thymol, acetylene, vinylation, superbasic medium, quantum chemistry.
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