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L. D. Grigoreva, V. Y. Grigorev

Calculation and properties of the correlation dimension of alkanes based on molecular scattering curves

Abstract

For a series of n-alkanes C2H6 ... C40H82 was calculated the correlation dimension (D2) on the basis of molecular scattering curves. It was found that D2 varies in the range 1.101.22. By increasing the total number of atoms correlation dimension increases and then stabilizes. The effect of the replacement of hydrogen atoms by halogen atoms, as well as the change in the degree of hybridization of carbon atoms by D2, was studied. A correlation dimension has been identified with other fractal characteristics of the molecules.
Key words: correlation dimension, alkanes, molecular scattering.
Moscow University Chemistry Bulletin.
2021, Vol. 62, No. 2, P. 95
   

Copyright (C) Chemistry Dept., Moscow State University, 2002
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