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

被引:0
作者
Grigoreva, L. D. [1 ]
Grigorev, V. Y. [2 ]
机构
[1] Moscow StateUniv, Dept Fundamental Phys & Chem Engn, Moscow 119991, Russia
[2] Russian Acad Sci, Inst Physiologically Act Cpds, Chernogolovka 142432, Moscow Oblast, Russia
关键词
correlation dimension; alkanes; molecular scattering; NONLINEAR DYNAMICS; CHAOS THEORY; CHEMISTRY; TRANSFORMS; SYSTEMS;
D O I
10.3103/S0027131421010041
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
For a series of n-alkanes C2H6 horizontal ellipsis C40H82, the correlation dimension (D-2) is calculated based on the molecular scattering curves. It is found that D-2 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 D-2 are studied. The correlation dimension is identified with the other fractal characteristics of the molecules.
引用
收藏
页码:21 / 26
页数:6
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