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Документ Electronic and steric structure “Quasi-verdazyls.” I. Phosphaverdazyl and its leuco base(1984) Nesterenko, A.; Polumbryk, Oleg; Markovskii, LeonidBy the PNDO method in an spd basis, with complete optimization of geometry, the electronic and steric structure has been calculated for different conformers of a model phosphaverdazyl and its leuco base. The results are consistent with the interpretation given previously for the ESR spectra of phosphaverdazyls. Features of electronic structure are judged in terms of their influence on the physicochemical properties and reactivity of phosphatetrazines.Документ Electronic structures and reactivities of derivatives of 1,4-dihydropyridines. 1. 1-methyl-3-carbamidopyridinyl radical and 1-methyl-3-carbamidopyridinium cation(1987) Nesterenko, A.; Buryak, Nadezhda; Polumbryk, Oleg; Yasnikov, A.The physicochemical properties and electronic and three-dimensional structures of the products of transformations of 1-methyl-1,4-dihydronicotinamide were calculated within the MINDO/3 approximation. The problems associated with their reactivities in reactions involving electron and hydrogen-atom transfer, as well as the problems of “hydride” transfer in chemical reactions, are discussed.Документ Quantum-chemical investigation of spatial and electronic structure of verdazyl and its derivatives(1979) Markovskii, Leonid; Polumbryk, Oleg; Nesterenko, A.The unrestricted HF method in the INDO approximation with optimized geometry was used to describe the electronic structure of the hetero-ring of verdazyl and the derivatives of the latter. The results obtained are in good agreement with the experimental EPR spectra of triphenylverdazyl radical and its dipole moment. These data may be a basis for understanding and predicting the chemical properties and reactivity and its derivatives.