Expected value of first Zagreb connection index in random cyclooctatetraene chain, random polyphenyls chain, and random chain network

Raza, Zahid, Akhter, Shehnaz and Shang, Yilun (2023) Expected value of first Zagreb connection index in random cyclooctatetraene chain, random polyphenyls chain, and random chain network. Frontiers in Chemistry, 10. p. 1067874. ISSN 2296-2646

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Abstract

The Zagreb connection indices are the known topological descriptors of the graphs that are constructed from the connection cardinality (degree of given nodes lying at a distance 2) presented in 1972 to determine the total electron energy of the alternate hydrocarbons. For a long time, these connection indices did not receive much research attention. Ali and Trinajstić [Mol. Inform. 37, Art. No. 1800008, 2018] examined the Zagreb connection indices and found that they compared to basic Zagreb indices and that they provide a finer value for the correlation coefficient for the 13 physico-chemical characteristics of the octane isomers. This article acquires the formulae of expected values of the first Zagreb connection index of a random cyclooctatetraene chain, a random polyphenyls chain, and a random chain network with l number of octagons, hexagons, and pentagons, respectively. The article presents extreme and average values of all the above random chains concerning a set of special chains, including the meta-chain, the ortho-chain, and the para-chain.

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