Comparison of degree and modified reverse degree descriptors incorporating entropy and graph energy analysis for graphene allotropes
Year: 2026
Type: article
Abstract: Graphene allotropes are carbon-based materials with distinctive structural variations that result in diverse electronic, mechanical, and energy applications. Topological descriptors are graph-theoretical metrics widely used to assess physicochemical characteristics of organic metals based on their molecular structure. In this paper, we employ a modified reverse degree-based methodology and analyze the structural complexity using entropy measures. Furthermore, we also calculated the graph energy and developed a regression model, which was compared using modified reverse degree and normal degree-based indices to demonstrate the efficiency of the methodology and provide more comprehensive comprehension into the structural behavior.
Source: Frontiers in Chemistry
Authors: M. Regina Celine, A. Berin Greeni
Institution: Vellore Institute of Technology University
Language: English
Subfield: Discrete Mathematics and Combinatorics
Field: Mathematics
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,801
OpenAlex ID: W7223198541