Abstract
The matrix of maximal topological distances of a graph can serve as a basis for constructing new topological indices of ring-containing structures. A comparative study of the structure-property correlations of the indices of the matrix of maximal topological distances and known Wiener, Harary, and Schultz indices (instructive sample of 29 alkylbenzenes) showed that the best two- and three-parameter correlations with boiling points include the indices of the maximal distance matrix. The two-parameter (r = 0.0992, s = 3.5) and three-parameter (r = 0.994, s = 3.1) correlations may be used for quantitative predictions of the boiling points of alkylbenzenes.
| Original language | English |
|---|---|
| Pages (from-to) | 135-139 |
| Number of pages | 5 |
| Journal | Journal of Structural Chemistry |
| Volume | 38 |
| Issue number | 1 |
| Publication status | Published - Jan 1997 |
ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry
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Toropov, A. A., Toropova, A. P., Ismailov, T. T., Voropaeva, N. L., & Ruban, I. N. (1997). Correlations of indices calculated from the matrix of maximal topological distances with boiling points of alkylbenzenes. Journal of Structural Chemistry, 38(1), 135-139.