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Peer-reviewedCC BY 4.0Frontiers in Chemistry

Comparison of degree and modified reverse degree descriptors incorporating entropy and graph energy analysis for graphene allotropes

  • M. Regina Celine1
  • A. Berin Greeni1
  1. 1School of Advanced Sciences, Vellore Institute of Technology, Chennai, India
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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.

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Cite

BibTeXRIS
BibTeX
@article{celine2026comparison,
  title = {{Comparison of degree and modified reverse degree descriptors incorporating entropy and graph energy analysis for graphene allotropes}},
  author = {M. Regina Celine and A. Berin Greeni},
  journal = {Frontiers in Chemistry},
  year = {2026},
  month = oct,
  doi = {10.3389/fchem.2026.1835238},
  url = {https://doi.org/10.3389/fchem.2026.1835238},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Comparison of degree and modified reverse degree descriptors incorporating entropy and graph energy analysis for graphene allotropes
AU  - M. Regina Celine
AU  - A. Berin Greeni
PY  - 2026
DA  - 2026/10/22
JO  - Frontiers in Chemistry
DO  - 10.3389/fchem.2026.1835238
UR  - https://doi.org/10.3389/fchem.2026.1835238
AB  - 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.
SN  - 2296-2646
ER  -