Muhammad Aqib, Mehar Ali Malik, Hafiz Usman Afzal, Tahzeeb Fatima
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Structural characterization of nanomaterials C 4 C 8
AbstractTopological 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 nanotube TUC4C8[m,n] and C4C8[m,n] nanotorus. The main motivation here is the molecular graphs of the nano-chemical compound TUC4C8 nanotubes and C4C8 nanotorus. While the central and latest point of convergence of our discussion is to provide a ‘3D graphical trend and relative comparison’ of these derived topological descriptors of these materials that will make them more useful and comparative for chemists, nano and material scientists and would open a new 3D graphical horizon towards material sciences and chemical engineering.Keywords: Forgotten indexatom–bond connectivity indexTUC4C8 nanotubeC4C8 nanotorus Disclosure statementNo potential conflict of interest was reported by the author(s).
期刊介绍:
Molecular Physics is a well-established international journal publishing original high quality papers in chemical physics and physical chemistry. The journal covers all experimental and theoretical aspects of molecular science, from electronic structure, molecular dynamics, spectroscopy and reaction kinetics to condensed matter, surface science, and statistical mechanics of simple and complex fluids. Contributions include full papers, preliminary communications, research notes and invited topical review articles.