Reduced reverse degree-based topological indices of graphyne and graphdiyne nanoribbons with applications in chemical analysis

Abstract

Graphyne and Graphdiyne Nanoribbons reveal significant prospective with diverse applications. In electronics, they propose unique electronic properties for high-performance nanoscale devices, while in catalysis, their excellent surface area and reactivity sort them valuable catalyst supports for numerous chemical reactions, contributing to progresses in sustainable energy and environmental remediation. The topological indices (TIs) are numerical invariants that provide important information about the molecular topology of a given molecular graph. These indices are essential in QSAR/QSPR analysis and play a significant role in predicting various physico-chemical characteristics. In this article, we present a formula for computing reduced reverse (RR) degree-based topological indices for graphyne and graphdiyne nanoribbons, including the RR Zagreb indices, RR hyper-Zagreb indices, RR forgotten index, RR atom bond connectivity index, and RR Geometric-arithmetic index. We also execute a graph-theoretical analysis and comparison to demonstrate the critical significance and validate the acquired results. Our findings provide insights into the structural and chemical properties of these nanoribbons and contribute to the development of new materials for various applications.

Computation of molecular description of supramolecular Fuchsine model useful in medical data

“…They play a crucial role in correlating the topology of molecular graphs with various physio-chemical properties such as boiling point, viscosity, and radius of gyrations 3 , 4 . Additionally, these indices are useful in predicting bioactivity of molecules 5 – 7 . They find applications in diverse fields such as drug design, environmental chemistry, and material science 8 – 14 .…”

The study of pentagonal chain with respect to schultz index, modified schultz index, schultz polynomial and modified schultz polynomial

“…Recently, Ullah et al, obtained some interesting results on structural characterizations of graphs through degree based topological indices [39][40][41][42][43] and Mondal et al, studied the molecular graphs in [44][45][46][47]. On the other hand, some other properties of topological indices are discussed by Ahmad et al, [48][49][50][51] and Zaman et al, in [52][53][54][55][56][57][58][59]. The authors He et al, [60] defined the pentagonal chain graph, as a simple graph consisting of five vertices arranged in each cycle.…”

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“…Recently, Ullah et al, obtained some interesting results on structural characterizations of graphs through degree based topological indices [39][40][41][42][43] and Mondal et al, studied the molecular graphs in [44][45][46][47]. On the other hand, some other properties of topological indices are discussed by Ahmad et al, [48][49][50][51] and Zaman et al, in [52][53][54][55][56][57][58][59]. The authors He et al, [60] defined the pentagonal chain graph, as a simple graph consisting of five vertices arranged in each cycle.…”