Studying thermodynamic properties of linear acenes molecules (C4n+2H2n+4) using hyper-Zagreb index. (3rd October 2019)

• Record Type: Journal Article
• Authors: Alamoti, Somayeh Shafiee; Alaeiyan, Mehdi; Gilani, Alireza
• Is Part Of: Journal of discrete mathematical sciences & cryptography. Volume 22:Number 7(2019)
• Page Start: 1261
• Page End: 1268
• Publication Date: 2019-10-03
• Subjects: 05C35 -- 05C07; Electron Affinity Energy -- Energy of bond -- Gap Energy -- Hyper-Zagreb index -- Phenacenes -- Acenes; Computer science -- Mathematics -- Periodicals; Cryptography -- Periodicals; Computer science -- Mathematics; Cryptography; Periodicals; 004.0151
• DOI: 10.1080/09720529.2019.1694258
• Languages: English
• ISSNs: 0972-0529

Abstract

Abstract: Let G = ( V, E ) be a simple connected graph with the vertex and edge sets respectively, V ( G ) and E ( G ). The hyper-Zagreb index of G is defined as HM ( G )= ∑ uv ∈ E ( G ) ( du + dv ) 2 over all edges uv of G, where du denotes the degree of the vertex u of G . In this paper, we calculate hyper-Zagreb index, for organic linear Acenes molecules ( C 4 n +2 H 2 n +4 ). Furthermore, we find a relationship between topological indices based on the number of rings and prediction the thermodynamic properties of Acenes family such as electron affinity, bond and gap energy by using Topological Indices Method(TIM).