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The General (α,3)-Path Connectivity Indices of Polycyclic Aromatic Hydrocarbons
Author(s) -
Haiying Wang,
Chuantao Li
Publication year - 2018
Publication title -
discrete dynamics in nature and society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.264
H-Index - 39
eISSN - 1607-887X
pISSN - 1026-0226
DOI - 10.1155/2018/5702346
Subject(s) - algorithm , computer science
The general ( α , t ) -path connectivity index of a molecular graph originates from many practical problems such as three-dimensional quantitative structure-activity (3D QSAR) and molecular chirality. It is defined asRtα ( G ) = ∑P t = vi 1vi 2⋯ vi t + 1⊆ G[ d ( vi 1) d ( vi 2) ⋯ d ( vi t + 1) ] α, where the summation is taken over all possible paths of length t of G and we do not distinguish between the pathsvi 1vi 2⋯ vi t + 1andvi t + 1⋯ vi 2vi 1. In this paper, we focus on the structures of Polycyclic Aromatic Hydrocarbons ( P A H n ), which play a role in organic materials and medical sciences. We try to compute the exact general ( α , 3 ) -path connectivity indices of this family of hydrocarbon structures. Furthermore, we exactly derive the monotonicity and the extremal values ofR3α ( P A H n ) for any real number α . These valuable results could produce strong guiding significance to these applied sciences.

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