Topological Aspects of Dendrimers via Connection-Based Descriptors  

作　　者：Muhammad Javaid Ahmed Alamer Aqsa Sattar 

机构地区：[1]Department of Mathematics,School of Science,University of Management and Technology,Lahore,54770,Pakistan [2]Department of Mathematics,College of Science,University of Tabuk,Tabuk,7149,Saudi Arabia

出　　处：《Computer Modeling in Engineering & Sciences》2023年第5期1649-1667,共19页工程与科学中的计算机建模（英文）

摘　　要：Topological indices(TIs)have been practiced for distinct wide-ranging physicochemical applications,especially used to characterize and model the chemical structures of various molecular compounds such as dendrimers,nanotubes and neural networks with respect to their certain properties such as solubility,chemical stability and low cytotoxicity.Dendrimers are prolonged artificially synthesized or amalgamated natural macromolecules with a sequential layer of branches enclosing a central core.A present-day trend in mathematical and computational chemistry is the characterization of molecular structure by applying topological approaches,including numerical graph invariants.Among topological descriptors,Zagreb connection indices(ZCIs)have much importance.This manuscript involves the establishment of general results to calculate ZCIs,namely first ZCI(FZCI),second ZCI(SZCI),third ZCI(TZCI),modified FZCI,modified SZCI and modified TZCI of two special types of dendrimers nanostars,namely,poly propylene imine octamin(PPIO)dendrimer and poly(propyl)ether imine(PPEtIm)dendrimer.Furthermore,we provide the numerical and graphical comparative analysis of our calculated results for both types of dendrimers with each other.

关 键 词：Zagreb indices zagreb connection indices topological index dendrimer nanostars 

分 类 号：TP391.41[自动化与计算机技术—计算机应用技术]