Topological Aspects of Dendrimers via Connection-Based Descriptors

نویسندگان

چکیده

Topological indices (TIs) have been practiced for distinct wide-ranging physicochemical applications, especially used to characterize and model the chemical structures of various molecular compounds such as dendrimers, nanotubes neural networks with respect their certain properties solubility, stability low cytotoxicity. Dendrimers are prolonged artificially synthesized or amalgamated natural macromolecules a sequential layer branches enclosing central core. A present-day trend in mathematical computational chemistry is characterization structure by applying topological approaches, including numerical graph invariants. Among descriptors, Zagreb connection (ZCIs) much importance. This manuscript involves establishment general results calculate ZCIs, namely first ZCI (FZCI), second (SZCI), third (TZCI), modified FZCI, SZCI TZCI two special types dendrimers nanostars, namely, poly propylene imine octamin (PPIO) dendrimer (propyl) ether (PPEtIm) dendrimer. Furthermore, we provide graphical comparative analysis our calculated both each other.

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ژورنال

عنوان ژورنال: Cmes-computer Modeling in Engineering & Sciences

سال: 2023

ISSN: ['1526-1492', '1526-1506']

DOI: https://doi.org/10.32604/cmes.2022.022832