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

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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Bibliographic Details
Main Authors: Nasreen Ebrahim Almohanna, Muhammad Asif, Khawlah Hamad Alhulwah, Muhammad Farhan Hanif, Muhammad Kamran Siddiqui, Osman Abubakar Fiidow
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Scientific Reports
Subjects:
Topological indices (TI)
Gibbs energy
Curve fitting model
Semiconducting carbon allotrope structure
Online Access:https://doi.org/10.1038/s41598-025-97005-3
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https://doi.org/10.1038/s41598-025-97005-3

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