Structural characterization of nanomaterials C4C8

MOLECULAR PHYSICS(2023)

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摘要
Topological indices are the numerical parameters of molecular graphs that characterise their behaviour and are mathematical invariant that preserves chemical and material properties. In a QSAR/QSPR study, physico-chemical properties and topological indices are studied. In this research, we shall calculate forgotten topological, inverse sum, the general sum connectivity and the first multiplicative atom-bond connectivity indices of carbon nanotubeTUC(4)C(8)[m,n] and C4C8 [m,n] nanotorus. The main motivation here is the molecular graphs of the nano-chemical compound TUC(4)C(8 )nanotubes andC(4)C(8)nanotorus. While the central and latest point of convergence of ourdiscussion is to provide a '3Dgraphical trend and relative comparison' of these derived topologicaldescriptors of these materials that will make them more useful and comparative for chemists, nanoand material scientists and would open a new 3Dgraphical horizon towards material sciences andchemical engineering.
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关键词
Forgotten index,atom-bondconnectivity index,TUC(4)C(8)nanotube,C(4)C(8)nanotorus
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