2024/06/07 by Zohreh Aliannejadi, Aliannejadi, Z., Somayeh Shafiee Alamoti +1
Chemistry · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Mathematics #General Mathematics (math.GM) #Graph theory and applications #History and advancements in chemistry
paper · pdf · doi:10.48550/arxiv.2406.16916
openalex publication_date 2024/06/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The paper discusses the edge hyper-Zagreb index of a graph, which is calculated by replacing vertex degrees with edge degrees. The degree of an edge is determined by adding up the degrees of the end vertices of the edge and subtracting 2. We examine the edge hyper-Zagreb index of the Cartesian product and join of graphs, and also calculate it for organic linear Acenes molecules with the formula (C4n+2H2n+4). We establish a correlation between topological indices based on the number of rings and predict thermodynamic properties of Acenes family, such as electron affinity, bond, heat of formation and gap energy, using the Topological Indices Method (T IM).