Abstract
The possibilities of the theoretical graph approach to the construction and interpretation of additive schemes for calculation and prediction are discussed. Working formulas are derived for calculating the thermodynamic properties of alkanes and their substitutes. The obtained algorithms are used to calculate thermodynamic properties of chloroalkanes that correspond to experimental values.
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Original Russian Text © M.G. Vinogradova, Yu.A. Fedina, Yu.G. Papulov, 2016, published in Zhurnal Fizicheskoi Khimii, 2016, Vol. 90, No. 2, pp. 234–239.
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Vinogradova, M.G., Fedina, Y.A. & Papulov, Y.G. Graph theory in structure–property correlations. Russ. J. Phys. Chem. 90, 411–416 (2016). https://doi.org/10.1134/S0036024416020345
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DOI: https://doi.org/10.1134/S0036024416020345