ArticleScientific reports2024
Topological analysis of tetracyanobenzene metal-organic framework.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Characterization of entropy measures with connection number based indices of boric acid hydrogen-bonded 2D lattice sheets.Scientific reports · 2024Article
- On physical analysis of topological indices for iron disulfide network via curve fitting model.Scientific reports · 2024Article
- On analysis of topological indices and heat of formation for benzyl sulfamoyl network via curve fitting model.Scientific reports · 2024Article
- Modified reverse degree descriptors for combined topological and entropy characterizations of 2D metal organic frameworks: applications in graph energy prediction.Frontiers in chemistry · 2024Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Metal-organic frameworks (MOFs) are vital in modern material science, offering unique properties for gas storage, catalysis, and drug delivery due to their highly porous and customizable structures. Chemical graph theory emerges as a critical tool, providing a mathematical model to represent the molecular structure of these frameworks. Topological indices/molecular descriptors are mathematical formulations applied to molecular models, enabling the analysis of physicochemical properties and circumventing costly lab experiments. These descriptors are crucial for quantitative structure-property and structure-activity relationship studies in mathematical chemistry. In this paper, we study the different molecular descriptors of tetracyanobenzene metal-organic framework. We also give numerical comparison of computed molecular descriptors.
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