Molecular Properties of Symmetrical Networks Using Topological Polynomials
| Autor: | Jia-Bao Liu, Muhammad Saeed, Muhammad Kamran Siddiqui, Maqsood Ahmad, Xing-Long Wang, Muhammad Hussain |
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| Rok vydání: | 2019 |
| Předmět: |
molecular graphs
05c90 Pure mathematics Chemistry 010401 analytical chemistry 0102 computer and information sciences General Chemistry 01 natural sciences 0104 chemical sciences m-polynomial forgotten polynomial hex-derive networks 5c12 010201 computation theory & mathematics Materials Chemistry topological indices QD1-999 |
| Zdroj: | Open Chemistry, Vol 17, Iss 1, Pp 849-864 (2019) |
| ISSN: | 2391-5420 |
| DOI: | 10.1515/chem-2019-0109 |
| Popis: | A numeric quantity that comprehend characteristics of molecular graph Γ of chemical compound is known as topological index. This number is, in fact, invariant with respect to symmetry properties of molecular graph Γ. Many researchers have established, after diverse studies, a parallel between the physico chemical properties like boiling point, stability, similarity, chirality and melting point of chemical species and corresponding chemical graph. These descriptors defined on chemical graphs are extremely helpful for researchers to conduct regression model like QSAR/QSPR and better understand the physical features, complexity of molecules, chemical and biological properties of underlying compound.In this paper, several structure descriptors of vital importance, namely, first, second, modified and augmented Zagreb indices, inverse and general Randic indices, symmetric division, harmonic, inverse sum and forgotten indices of Hex-derived Meshes (networks) of two kinds, namely, HDN1(n) and HDN2(n) are computed and recovered using general approach of topological polynomials. |
| Databáze: | OpenAIRE |
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