Abstract
Quantum chemical modeling of the mechanism of interaction of pro-pargyl chloride with potas-sium 1,3-propanedithiolate in the hydrazine hydrate–KOH system was carried out using the combined approach CCSD(T)/6-31+G*//B3LYP/6-311++G* *. The elementary stages of the re-action, possible intermediate compounds, reaction products and transition states have been es-tablished
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