Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure
Topological indices are such numbers or set of numbers that describe topology of structures. Nearly 400 topological indices are calculated so far. The prognostication of physical, chemical, and biological attributes of organic compounds is an important and still unsolved problem of computational che...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2022-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2022/3621403 |
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| _version_ | 1832559145547464704 |
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| author | Zeeshan Saleem Mufti Rukhshanda Anjum Ayesha Abbas Shahbaz Ali Muhammad Afzal Ashraful Alam |
| author_facet | Zeeshan Saleem Mufti Rukhshanda Anjum Ayesha Abbas Shahbaz Ali Muhammad Afzal Ashraful Alam |
| author_sort | Zeeshan Saleem Mufti |
| collection | DOAJ |
| description | Topological indices are such numbers or set of numbers that describe topology of structures. Nearly 400 topological indices are calculated so far. The prognostication of physical, chemical, and biological attributes of organic compounds is an important and still unsolved problem of computational chemistry. Topological index is the tool to predict the physicochemical properties such as boiling point, melting point, density, viscosity, and polarity of organic compounds. In this study, some degree-based molecular descriptors of hydrocarbon structure are calculated. |
| format | Article |
| id | doaj-art-74c0abbc91224f9b957dda9974b72a45 |
| institution | Kabale University |
| issn | 2090-9071 |
| language | English |
| publishDate | 2022-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-74c0abbc91224f9b957dda9974b72a452025-02-03T01:30:39ZengWileyJournal of Chemistry2090-90712022-01-01202210.1155/2022/3621403Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon StructureZeeshan Saleem Mufti0Rukhshanda Anjum1Ayesha Abbas2Shahbaz Ali3Muhammad Afzal4Ashraful Alam5Department of Mathematics and StatisticsDepartment of Mathematics and StatisticsDepartment of Mathematics and StatisticsDepartment of MathematicsDepartment of MathematicsDepartment of MathematicsTopological indices are such numbers or set of numbers that describe topology of structures. Nearly 400 topological indices are calculated so far. The prognostication of physical, chemical, and biological attributes of organic compounds is an important and still unsolved problem of computational chemistry. Topological index is the tool to predict the physicochemical properties such as boiling point, melting point, density, viscosity, and polarity of organic compounds. In this study, some degree-based molecular descriptors of hydrocarbon structure are calculated.http://dx.doi.org/10.1155/2022/3621403 |
| spellingShingle | Zeeshan Saleem Mufti Rukhshanda Anjum Ayesha Abbas Shahbaz Ali Muhammad Afzal Ashraful Alam Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure Journal of Chemistry |
| title | Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure |
| title_full | Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure |
| title_fullStr | Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure |
| title_full_unstemmed | Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure |
| title_short | Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure |
| title_sort | computation of vertex degree based molecular descriptors of hydrocarbon structure |
| url | http://dx.doi.org/10.1155/2022/3621403 |
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