Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique
Carbon nanocones, characterized by planar networks primarily consisting of hexagonal carbon faces and a few pentagons in the core, hold significant promise in various fields such as electronics, medicine, and material research due to their exceptional properties. This study exclusively investigates...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-12-01
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| Series: | Ain Shams Engineering Journal |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2090447924004763 |
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| author | Annmaria Baby D. Antony Xavier Syed Ajaz K. Kirmani Muhammad Imran Muhammad Usman Ghani Manal Elzain Mohamad Abdalla |
| author_facet | Annmaria Baby D. Antony Xavier Syed Ajaz K. Kirmani Muhammad Imran Muhammad Usman Ghani Manal Elzain Mohamad Abdalla |
| author_sort | Annmaria Baby |
| collection | DOAJ |
| description | Carbon nanocones, characterized by planar networks primarily consisting of hexagonal carbon faces and a few pentagons in the core, hold significant promise in various fields such as electronics, medicine, and material research due to their exceptional properties. This study exclusively investigates the topological descriptors of symmetrically configured carbon nanocones, specifically nanocones with two and three pentagonal core respectively. By modeling these structures as chemical graphs and employing molecular descriptors, we aim to provide a quantitative analysis of the structures without laboratory experimentation. The quotient graph approach is employed to determine the distance based descriptors, namely wiener, szeged and Padmakar-Ivan indices for these symmetrically configured carbon nanocones. The analytically closed formulas determined could be useful in quantitative structure-property-activity relationship studies, which helps in predicting the physico-chemical properties of the underlying structures. Thus the findings in this work not only deepen our understanding of symmetric carbon nanocones but also pave the way for significant advancements in nanotechnology and materials science. |
| format | Article |
| id | doaj-art-8b9606e6a1d041e18ed93665d6b33e0f |
| institution | Kabale University |
| issn | 2090-4479 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Ain Shams Engineering Journal |
| spelling | doaj-art-8b9606e6a1d041e18ed93665d6b33e0f2024-12-18T08:48:21ZengElsevierAin Shams Engineering Journal2090-44792024-12-011512103095Molecular descriptors of symmetrically configured carbon nanocones via quotient graph techniqueAnnmaria Baby0D. Antony Xavier1Syed Ajaz K. Kirmani2Muhammad Imran3Muhammad Usman Ghani4Manal Elzain Mohamad Abdalla5Department of Mathematics, Loyola College, University of Madras, Chennai, IndiaDepartment of Mathematics, Loyola College, University of Madras, Chennai, IndiaDepartment of Electrical Engineering, College of Engineering, Qassim University, Saudi ArabiaDepartment of Mathematics and Natural Sciences, Prince Mohammad Bin Fahd University, P.O. Box 1664, Al Khobar 31952, Saudi Arabia; Corresponding author.Institute of Mathematics, Khawaja Fareed University of Engineering & Information Technology, Abu Dhabi Road, 64200, Rahim Yar Khan, PakistanDepartment of Mathematics, King Khalid University, Mahayil, Saudi ArabiaCarbon nanocones, characterized by planar networks primarily consisting of hexagonal carbon faces and a few pentagons in the core, hold significant promise in various fields such as electronics, medicine, and material research due to their exceptional properties. This study exclusively investigates the topological descriptors of symmetrically configured carbon nanocones, specifically nanocones with two and three pentagonal core respectively. By modeling these structures as chemical graphs and employing molecular descriptors, we aim to provide a quantitative analysis of the structures without laboratory experimentation. The quotient graph approach is employed to determine the distance based descriptors, namely wiener, szeged and Padmakar-Ivan indices for these symmetrically configured carbon nanocones. The analytically closed formulas determined could be useful in quantitative structure-property-activity relationship studies, which helps in predicting the physico-chemical properties of the underlying structures. Thus the findings in this work not only deepen our understanding of symmetric carbon nanocones but also pave the way for significant advancements in nanotechnology and materials science.http://www.sciencedirect.com/science/article/pii/S2090447924004763CarbonNanoconeQuotient graph approachDistance based descriptorsWiener indexSzeged indices |
| spellingShingle | Annmaria Baby D. Antony Xavier Syed Ajaz K. Kirmani Muhammad Imran Muhammad Usman Ghani Manal Elzain Mohamad Abdalla Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique Ain Shams Engineering Journal Carbon Nanocone Quotient graph approach Distance based descriptors Wiener index Szeged indices |
| title | Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique |
| title_full | Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique |
| title_fullStr | Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique |
| title_full_unstemmed | Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique |
| title_short | Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique |
| title_sort | molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique |
| topic | Carbon Nanocone Quotient graph approach Distance based descriptors Wiener index Szeged indices |
| url | http://www.sciencedirect.com/science/article/pii/S2090447924004763 |
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