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Calculation and Properties of the Correlation Dimension of Alkanes Based on Molecular Scattering Curves

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Moscow University Chemistry Bulletin Aims and scope

Abstract

For a series of n-alkanes C2H6 … C40H82, the correlation dimension (D2) is calculated based on the molecular scattering curves. It is found that D2 varies in the range 1.10–1.22. By increasing the total number of atoms the correlation dimension increases and then stabilizes. The effect of the replacement of hydrogen atoms by halogen atoms and the change in the degree of hybridization of carbon atoms by D2 are studied. The correlation dimension is identified with the other fractal characteristics of the molecules.

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Funding

This study was performed as part of a state assignment of the Institute of Physiologically Active Substances of the Russian Academy of Sciences in 2020 (topic no. 0090-2020-0004).

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Authors and Affiliations

  1. Department of Fundamental Physical and Chemical Engineering, Moscow State University, 119991, Moscow, Russia

    L. D. Grigoreva

  2. Institute of Physiologically Active Compounds, Russian Academy of Sciences, 142432, Chernogolovka, Moscow oblast, Russia

    V. Y. Grigorev

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  1. L. D. Grigoreva
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Correspondence to L. D. Grigoreva.

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The study was performed without the use of animals or people as subjects.

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Translated by P. Kuchina

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Grigoreva, L.D., Grigorev, V.Y. Calculation and Properties of the Correlation Dimension of Alkanes Based on Molecular Scattering Curves. Moscow Univ. Chem. Bull. 76, 21–26 (2021). https://doi.org/10.3103/S0027131421010041

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  • DOI: https://doi.org/10.3103/S0027131421010041

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