探索图形的边缘超萨格勒布索引:有机线性烯分子热力学性质的应用与预测

Z. Aliannejadi, S. Shafiee Alamoti
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引用次数: 0

摘要

本文讨论了图的边超扎格雷布指数,该指数的计算方法是用边度代替顶点度。一条边的度数是由该边末端顶点的度数相加再减去 2 得出的。我们研究了笛卡尔乘积图和连接图的边超扎格勒布指数,还计算了分子式为 (C4n+2H2n+4) 的有机线性烯分子的边超扎格勒布指数。我们利用拓扑指数法(T IM)建立了基于环数的拓扑指数与预测烯族热力学性质(如电子亲和力、键、形成热和间隙能)之间的相关性。
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Exploring the Edge Hyper-Zagreb Index of Graphs: Applications and Predictions of Thermodynamic Properties for Organic Linear Acenes Molecules
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).
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