Theoretical Analysis of Superphenalene Using Different Kinds of VDB Indices
Topological indices (TIs) are numerical quantities that enable theoretical chemists to analyse molecular structures mathematically. These TIs are essential to exploring chemical compounds using theoretical techniques like QSAR/QSPR methods. Superphenalene is a large polycyclic aromatic hydrocarbon m...
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| Format: | Article |
| Language: | English |
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Wiley
2022-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2022/5683644 |
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| author | K. Julietraja Ammar Alsinai Abdu Alameri |
| author_facet | K. Julietraja Ammar Alsinai Abdu Alameri |
| author_sort | K. Julietraja |
| collection | DOAJ |
| description | Topological indices (TIs) are numerical quantities that enable theoretical chemists to analyse molecular structures mathematically. These TIs are essential to exploring chemical compounds using theoretical techniques like QSAR/QSPR methods. Superphenalene is a large polycyclic aromatic hydrocarbon molecule which has been quickly gaining importance as a building block for alternate energy providers due to its photovoltaic properties. The exciting features of this compound, coupled with its potential applications, warrant an investigation of its nature and properties from a structural perspective. The objective of this research is to compute the proper analytical expressions of four kinds of vertex degree-based (VDB) indices for superphenalene. The numerical values of these indices and 3D graphical representations also help in understanding the relationship between the VDB indices of the compound and its underlying chemical structure quantitatively. |
| format | Article |
| id | doaj-art-f9c9b7a588384268ac38964c27d8ba54 |
| institution | Kabale University |
| issn | 2090-9071 |
| language | English |
| publishDate | 2022-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-f9c9b7a588384268ac38964c27d8ba542025-02-03T01:00:45ZengWileyJournal of Chemistry2090-90712022-01-01202210.1155/2022/5683644Theoretical Analysis of Superphenalene Using Different Kinds of VDB IndicesK. Julietraja0Ammar Alsinai1Abdu Alameri2Department of MathematicsDepartment of MathematicsDepartment of Biomedical EngineeringTopological indices (TIs) are numerical quantities that enable theoretical chemists to analyse molecular structures mathematically. These TIs are essential to exploring chemical compounds using theoretical techniques like QSAR/QSPR methods. Superphenalene is a large polycyclic aromatic hydrocarbon molecule which has been quickly gaining importance as a building block for alternate energy providers due to its photovoltaic properties. The exciting features of this compound, coupled with its potential applications, warrant an investigation of its nature and properties from a structural perspective. The objective of this research is to compute the proper analytical expressions of four kinds of vertex degree-based (VDB) indices for superphenalene. The numerical values of these indices and 3D graphical representations also help in understanding the relationship between the VDB indices of the compound and its underlying chemical structure quantitatively.http://dx.doi.org/10.1155/2022/5683644 |
| spellingShingle | K. Julietraja Ammar Alsinai Abdu Alameri Theoretical Analysis of Superphenalene Using Different Kinds of VDB Indices Journal of Chemistry |
| title | Theoretical Analysis of Superphenalene Using Different Kinds of VDB Indices |
| title_full | Theoretical Analysis of Superphenalene Using Different Kinds of VDB Indices |
| title_fullStr | Theoretical Analysis of Superphenalene Using Different Kinds of VDB Indices |
| title_full_unstemmed | Theoretical Analysis of Superphenalene Using Different Kinds of VDB Indices |
| title_short | Theoretical Analysis of Superphenalene Using Different Kinds of VDB Indices |
| title_sort | theoretical analysis of superphenalene using different kinds of vdb indices |
| url | http://dx.doi.org/10.1155/2022/5683644 |
| work_keys_str_mv | AT kjulietraja theoreticalanalysisofsuperphenaleneusingdifferentkindsofvdbindices AT ammaralsinai theoreticalanalysisofsuperphenaleneusingdifferentkindsofvdbindices AT abdualameri theoreticalanalysisofsuperphenaleneusingdifferentkindsofvdbindices |