Structural characterization of nanomaterials C4C8
MOLECULAR PHYSICS(2023)
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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