Investigating topological descriptor and Gibb’s energy for semiconducting carbon allotrope through advanced curve fitting model

Abstract This study examines the correlation of connection number-based topological indices with the Gibbs energy of semiconducting carbon allotropes using chemical graph theory. Various indices including Zagreb connection indices, modified Zagreb connection indices, and other molecular descriptors...

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Главные авторы:	Nasreen Ebrahim Almohanna, Muhammad Asif, Khawlah Hamad Alhulwah, Muhammad Farhan Hanif, Muhammad Kamran Siddiqui, Osman Abubakar Fiidow
Формат:	Artigo
Язык:	Inglês
Опубликовано:	Nature Portfolio 2025-04-01
Серии:	Scientific Reports
Предметы:	Topological indices (TI) Gibbs energy Curve fitting model Semiconducting carbon allotrope structure
Online-ссылка:	https://doi.org/10.1038/s41598-025-97005-3
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