Scientific Reports ( IF 3.8 ) Pub Date : 2024-05-02 , DOI: 10.1038/s41598-024-60484-x Bai Chunsong 1 , Anisa Naeem 2 , Shamaila Yousaf 2 , Adnan Aslam 3 , Fairouz Tchier 4 , Abudulai Issa 5
Chemical graph theory has made a significant contribution to understand the chemical compound properties in the modern era of chemical science. At present, calculation of the topological indices is one of most important area of research in the field of chemical graph theory. Cyclodecane is a cyclic hydrocarbon with the chemical formula \(C_{10}H_{20}\). It consists of a ring of ten carbon atoms bonded together in a cyclical structure. Cyclodecane chains can be part of larger molecules or polymers, where multiple cyclodecane rings are connected together. These molecules can have various applications in chemistry, materials science, and pharmaceuticals. This article aims to determine expected values of some connectivity based topological indices of random cyclodecane chains, containing saturated hydrocarbons with at least two rings. It also compares these descriptors using explicit formulae, numerical tables and present graphical profiles of these comparisons.
中文翻译:
探索随机环癸烷链拓扑指数的预期值以获得化学见解
化学图论为理解现代化学科学时代的化合物性质做出了重大贡献。目前,拓扑指数的计算是化学图论领域最重要的研究领域之一。环癸烷是一种环状烃,化学式为\(C_{10}H_{20}\) 。它由十个碳原子以环状结构键合在一起的环组成。环癸烷链可以是较大分子或聚合物的一部分,其中多个环癸烷环连接在一起。这些分子在化学、材料科学和制药领域有多种应用。本文旨在确定随机环癸烷链(包含至少两个环的饱和烃)的一些基于连通性的拓扑指数的期望值。它还使用明确的公式、数字表和当前这些比较的图形配置文件来比较这些描述符。