Comparisons of the Sombor Index of Alkane, Alkyl, and Annulene Series with Their Molecular Mass
Suppose G is an undirected simple graph. A topological index for G is a number with this property that it is invariant under all graph isomorphisms with applications in chemistry. The Sombor and reduced Sombor indices of G are defined as SOG = ∑uv ∈EGdG2u+dG2v and SOredG=∑uv ∈EGdGu−12+dGv−12 , respe...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2022-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2022/8348525 |
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| Summary: | Suppose G is an undirected simple graph. A topological index for G is a number with this property that it is invariant under all graph isomorphisms with applications in chemistry. The Sombor and reduced Sombor indices of G are defined as SOG = ∑uv ∈EGdG2u+dG2v and SOredG=∑uv ∈EGdGu−12+dGv−12 , respectively. Here, dGu denotes the degree of the vertex u in G. In this paper, these invariants were computed for alkanes, alkyls, and annulenes. A comparison of our calculations with molecular mass is also presented. As a consequence, it is shown that there is a good correlation between Sombor index and molecular mass of these compounds. |
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| ISSN: | 2090-9071 |