Browsing by Author "Socha, Jan"
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Item Мolecular mechanism of Diels-Alder reaction between cyclopentadiene and E-2-arylnitroethenes in the light of DFT computational study(Видавництво Львівської політехніки, 2011) Socha, Jan; Jasiński, Radomir; Barański, AndrzejThe mechanism of the Diels-Alder reaction between cyclopentadiene and E-2-arylnitroethenes were examined using the B3LYP/6-31G(d) (PCM) algorithm. It was found, that on both, competition paths, the reaction proceeds according to a one-step mechanism.