Abstract
The heat effects of the elementary processes involved in electron and hydrogen transfer with the participation of 1,4-dihydropyridines were calculated by the semiempirical MINDO/3 method. The effect of a number of side and parallel processes on the kinetic principles is discussed in the case of the oxidation of 1-methyl-1,4-dihydronicotinamide. The calculated and experimental data are compared.
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See [1] for Communication 2.
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 63–66, January, 1988.
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Nesterenko, A.M., Buryak, N.I., Polumbrik, O.M. et al. Electronic structures and reactivities of derivatives of 1,4-dihydropyridines. 3. Enthalpies of elementary processes in the 1,4-dihydronicotinamide series. Chem Heterocycl Compd 24, 53–56 (1988). https://doi.org/10.1007/BF00475566
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DOI: https://doi.org/10.1007/BF00475566