On Topological Descriptors of Certain Metal-Organic Frameworks
Topological indices are numerical numbers that represent the topology of a molecule and are calculated from the graphical depiction of the molecule. The importance of topological indices is due to their use as descriptors in QSPR/QSAR modeling. QSPRs (quantitative structure-property relationships) a...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2020-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2020/8819008 |
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| author | Peng Xu Mehran Azeem Muhammad Mubashir Izhar Syed Mazhar Shah Muhammad Ahsan Binyamin Adnan Aslam |
| author_facet | Peng Xu Mehran Azeem Muhammad Mubashir Izhar Syed Mazhar Shah Muhammad Ahsan Binyamin Adnan Aslam |
| author_sort | Peng Xu |
| collection | DOAJ |
| description | Topological indices are numerical numbers that represent the topology of a molecule and are calculated from the graphical depiction of the molecule. The importance of topological indices is due to their use as descriptors in QSPR/QSAR modeling. QSPRs (quantitative structure-property relationships) and QSARs (quantitative structure-activity relationships) are mathematical correlations between a specified molecular property or biological activity and one or more physicochemical and/or molecular structural properties. In this paper, we give explicit expressions of some degree-based topological indices of two classes of metal-organic frameworks (MOFs), namely, butylated hydroxytoluene- (BHT-) based metal-organic (M=Co, Fe, Mn, Cr) (MBHT) frameworks and M1TPyP−M2 (TPyP = 5,10,15,20-tetrakis(4-pyridyl)porphyrin and M1,M2 = Fe and Co) MOFs. |
| format | Article |
| id | doaj-art-5575763beaff48d0b2aa9557f127b5fb |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2020-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-5575763beaff48d0b2aa9557f127b5fb2025-02-03T05:53:53ZengWileyJournal of Chemistry2090-90632090-90712020-01-01202010.1155/2020/88190088819008On Topological Descriptors of Certain Metal-Organic FrameworksPeng Xu0Mehran Azeem1Muhammad Mubashir Izhar2Syed Mazhar Shah3Muhammad Ahsan Binyamin4Adnan Aslam5Institute of Computational Science and Technology, Guangzhou University, Guangzhou, ChinaUniversity of Engineering and Technology (RCET), Lahore, PakistanDepartment of Mathematics, Minhaj University Lahore, Lahore, PakistanSchool of Computer Science of Information Technology, Qiannan Normal University for Nationalities, Duyun 558000, ChinaDepartment of Mathematics, GC University Faisalabad, Faisalabad, PakistanUniversity of Engineering and Technology (RCET), Lahore, PakistanTopological indices are numerical numbers that represent the topology of a molecule and are calculated from the graphical depiction of the molecule. The importance of topological indices is due to their use as descriptors in QSPR/QSAR modeling. QSPRs (quantitative structure-property relationships) and QSARs (quantitative structure-activity relationships) are mathematical correlations between a specified molecular property or biological activity and one or more physicochemical and/or molecular structural properties. In this paper, we give explicit expressions of some degree-based topological indices of two classes of metal-organic frameworks (MOFs), namely, butylated hydroxytoluene- (BHT-) based metal-organic (M=Co, Fe, Mn, Cr) (MBHT) frameworks and M1TPyP−M2 (TPyP = 5,10,15,20-tetrakis(4-pyridyl)porphyrin and M1,M2 = Fe and Co) MOFs.http://dx.doi.org/10.1155/2020/8819008 |
| spellingShingle | Peng Xu Mehran Azeem Muhammad Mubashir Izhar Syed Mazhar Shah Muhammad Ahsan Binyamin Adnan Aslam On Topological Descriptors of Certain Metal-Organic Frameworks Journal of Chemistry |
| title | On Topological Descriptors of Certain Metal-Organic Frameworks |
| title_full | On Topological Descriptors of Certain Metal-Organic Frameworks |
| title_fullStr | On Topological Descriptors of Certain Metal-Organic Frameworks |
| title_full_unstemmed | On Topological Descriptors of Certain Metal-Organic Frameworks |
| title_short | On Topological Descriptors of Certain Metal-Organic Frameworks |
| title_sort | on topological descriptors of certain metal organic frameworks |
| url | http://dx.doi.org/10.1155/2020/8819008 |
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