Computation of Degree-Based Numerical Descriptors of Porous Graphene

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引用次数: 2

Abstract

Graph theory is attracting much attention due to the use of devices like topological indices. A topological graph index is defined according to a certain rule. After defining a new topological index, it must be checked for a possible correlation with the properties of a particular chemical substance along with a few mathematical properties. As most of the indices involve some data related to the degrees of the vertices, types of edges, and various details of the chemical compound under the study, it is very useful in chemistry applications. The applications include drug design, modeling of a compound, the study of structure relationships, etc. In this work, the redefined Zagreb indices, ABC index, GA index, Augmented Zagreb index, neighborhood version of redefined Zagreb indices, ABC4 index, GA5 index, and Sanskruti index is computed for the chemical compound called porous graphene. The work is concluded with a detailed conclusion of the study considered.
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基于度的多孔石墨烯数值描述符的计算
图论由于使用了拓扑指标等方法而受到广泛关注。拓扑图索引是按照一定的规则定义的。在定义了新的拓扑指数之后,必须检查它与特定化学物质的性质以及一些数学性质之间的可能相关性。由于大多数指标涉及与所研究的化合物的顶点度、边的类型和各种细节有关的一些数据,因此在化学应用中非常有用。其应用包括药物设计、化合物建模、结构关系研究等。在这项工作中,我们计算了多孔石墨烯化合物的重新定义的萨格勒布指数、ABC指数、GA指数、增强萨格勒布指数、重新定义的萨格勒布指数的邻区版本、ABC4指数、GA5指数和Sanskruti指数。工作结束时,考虑了研究的详细结论。
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