<p>Topological indices (TI) are calculated. Working formulas for the calculation of the physicochemical properties of amides are derived. Numerical calculations agreeing with experiment are performed. New data are obtained. The graphical dependences “Property–topological index (TI),” “Property–isomer number,” and “Topological index–isomer number” are constructed and analyzed. It is shown that in some cases the enthalpy of formation correlates well with TI, and in other cases there is no such dependence.</p>

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Topological Indices in the Study of Amides

  • M. G. Vinogradova

摘要

Topological indices (TI) are calculated. Working formulas for the calculation of the physicochemical properties of amides are derived. Numerical calculations agreeing with experiment are performed. New data are obtained. The graphical dependences “Property–topological index (TI),” “Property–isomer number,” and “Topological index–isomer number” are constructed and analyzed. It is shown that in some cases the enthalpy of formation correlates well with TI, and in other cases there is no such dependence.