Expected values of topological descriptors for possible kink chains of type 2⊤2
In this paper, we investigate square-hexagonal chains, a class of systems where the inner dual of a structure with a square-hexagon shape forms a path graph. The specific configuration of square and hexagonal polygons, and how they are concatenated, leads to different types of square-hexagonal chain...
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Frontiers Media S.A.
2025-02-01
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| Series: | Frontiers in Chemistry |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2024.1517892/full |
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| author | Ruxian Chen Ruxian Chen Asima Razzaque Asima Razzaque Maham Khalil Salma Kanwal Saima Noor Saima Noor Robina Nazir Robina Nazir |
| author_facet | Ruxian Chen Ruxian Chen Asima Razzaque Asima Razzaque Maham Khalil Salma Kanwal Saima Noor Saima Noor Robina Nazir Robina Nazir |
| author_sort | Ruxian Chen |
| collection | DOAJ |
| description | In this paper, we investigate square-hexagonal chains, a class of systems where the inner dual of a structure with a square-hexagon shape forms a path graph. The specific configuration of square and hexagonal polygons, and how they are concatenated, leads to different types of square-hexagonal chains. A square containing a vertex of degree 2 is classified as having a kink, and the resulting kink is referred to as a type ⊤2 kink. This kink is further subdivided into three types: ⊤12, 2⊤2, and 2⊤3. We focus on the kink chain of type 2⊤2 and compute various topological descriptors for this configuration. By deriving analytical expressions, we determine the maximizing and minimizing values of these descriptors. Additionally, we provide a comprehensive analysis of the expected values for these descriptors and offer a comparison of their behaviors through analytical, numerical, and graphical methods. These results offer insights into the structural properties and behavior of square-hexagonal chains, particularly in relation to the optimization of topological descriptors. |
| format | Article |
| id | doaj-art-b5a0eefb29c5466cb9e0028b7239cb57 |
| institution | DOAJ |
| issn | 2296-2646 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemistry |
| spelling | doaj-art-b5a0eefb29c5466cb9e0028b7239cb572025-08-20T02:43:16ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462025-02-011210.3389/fchem.2024.15178921517892Expected values of topological descriptors for possible kink chains of type 2⊤2Ruxian Chen0Ruxian Chen1Asima Razzaque2Asima Razzaque3Maham Khalil4Salma Kanwal5Saima Noor6Saima Noor7Robina Nazir8Robina Nazir9School of Public and General Education, Guangzhou Civil Aviation College, Guangzhou, Gaudong, ChinaInstitute of Computing Science and Technology, Guangzhou University, Guangzhou, ChinaDepartment of Basic Science, Preparatory Year, King Faisal University, Al-Ahsa, Saudi ArabiaDepartment of Mathematics, College of Science, King Faisal University, Al-Ahsa, Saudi ArabiaDepartment of Mathematics, Lahore College for Women University, Lahore, PakistanDepartment of Mathematics, Lahore College for Women University, Lahore, PakistanDepartment of Basic Science, Preparatory Year, King Faisal University, Al-Ahsa, Saudi ArabiaDepartment of Mathematics, College of Science, King Faisal University, Al-Ahsa, Saudi ArabiaDepartment of Basic Science, Preparatory Year, King Faisal University, Al-Ahsa, Saudi ArabiaDepartment of Mathematics, College of Science, King Faisal University, Al-Ahsa, Saudi ArabiaIn this paper, we investigate square-hexagonal chains, a class of systems where the inner dual of a structure with a square-hexagon shape forms a path graph. The specific configuration of square and hexagonal polygons, and how they are concatenated, leads to different types of square-hexagonal chains. A square containing a vertex of degree 2 is classified as having a kink, and the resulting kink is referred to as a type ⊤2 kink. This kink is further subdivided into three types: ⊤12, 2⊤2, and 2⊤3. We focus on the kink chain of type 2⊤2 and compute various topological descriptors for this configuration. By deriving analytical expressions, we determine the maximizing and minimizing values of these descriptors. Additionally, we provide a comprehensive analysis of the expected values for these descriptors and offer a comparison of their behaviors through analytical, numerical, and graphical methods. These results offer insights into the structural properties and behavior of square-hexagonal chains, particularly in relation to the optimization of topological descriptors.https://www.frontiersin.org/articles/10.3389/fchem.2024.1517892/fullrandom square-hexagonal kink chainstopological descriptorsexpected valuesRandic indexZagreb indices |
| spellingShingle | Ruxian Chen Ruxian Chen Asima Razzaque Asima Razzaque Maham Khalil Salma Kanwal Saima Noor Saima Noor Robina Nazir Robina Nazir Expected values of topological descriptors for possible kink chains of type 2⊤2 Frontiers in Chemistry random square-hexagonal kink chains topological descriptors expected values Randic index Zagreb indices |
| title | Expected values of topological descriptors for possible kink chains of type 2⊤2 |
| title_full | Expected values of topological descriptors for possible kink chains of type 2⊤2 |
| title_fullStr | Expected values of topological descriptors for possible kink chains of type 2⊤2 |
| title_full_unstemmed | Expected values of topological descriptors for possible kink chains of type 2⊤2 |
| title_short | Expected values of topological descriptors for possible kink chains of type 2⊤2 |
| title_sort | expected values of topological descriptors for possible kink chains of type 2⊤2 |
| topic | random square-hexagonal kink chains topological descriptors expected values Randic index Zagreb indices |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2024.1517892/full |
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