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More on Sombor indices of chemical graphs and their applications to the boiling point of benzenoid hydrocarbons
Author(s) -
Liu Hechao,
Chen Hanlin,
Xiao Qiqi,
Fang Xiaona,
Tang Zikai
Publication year - 2021
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26689
Subject(s) - boiling point , topological index , vertex (graph theory) , combinatorics , molecular graph , mathematics , kovats retention index , graph , index (typography) , set (abstract data type) , chemistry , organic chemistry , computer science , chromatography , gas chromatography , world wide web , programming language
Let G be a connected graph with vertex set V ( G ) and edge set E ( G ). The Sombor index of G is defined as SO G = ∑ uv ∈ E Gd u 2 + d v 2, and the reduced Sombor index of G is defined as SO red G = ∑ uv ∈ E Gd u − 1 2 +d v − 1 2, where d u denotes the degree of vertex u in G . In this paper, we determine maximum and minimum (reduced) Sombor index of chemical trees with given pendent vertices, and characterize their extremal graphs. In addition, some numerical results are discussed. We calculate the (reduced) Sombor index of a set of benzenoid hydrocarbons. The regression models show that boiling points and (reduced) Sombor index of benzenoid hydrocarbons are highly correlated.