On Thermodynamic Properties of Circumacenes Through Zagreb Indices
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866917812288618496 |
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| author | Alamoti, Somayeh Shafiee Aliannejadi, Zohreh |
| author_facet | Alamoti, Somayeh Shafiee Aliannejadi, Zohreh |
| contents | We explore the fascinating world of Circumacenes, a unique family of organic molecules. Our research demonstrarates the calculation of essential topological indices, including the first and second-Zagreb indices, as well as related generalized indices, and their relationship with the structure of these molecules. We also indicate how these indices can help predict crucial thermodynamic properties, such as gap energy and electron affinity energy, using an innovative method called the Topological Indices Method (TIM). |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2410_16313 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | On Thermodynamic Properties of Circumacenes Through Zagreb Indices Alamoti, Somayeh Shafiee Aliannejadi, Zohreh Chemical Physics 05C35, 05C07 We explore the fascinating world of Circumacenes, a unique family of organic molecules. Our research demonstrarates the calculation of essential topological indices, including the first and second-Zagreb indices, as well as related generalized indices, and their relationship with the structure of these molecules. We also indicate how these indices can help predict crucial thermodynamic properties, such as gap energy and electron affinity energy, using an innovative method called the Topological Indices Method (TIM). |
| title | On Thermodynamic Properties of Circumacenes Through Zagreb Indices |
| topic | Chemical Physics 05C35, 05C07 |
| url | https://arxiv.org/abs/2410.16313 |