On Thermodynamic Properties of Circumacenes Through Zagreb Indices

2024/10/07 by Alamoti, Somayeh Shafiee, Aliannejadi, Zohreh
#05C07 #05C35 #Chemical Physics (physics.chem-ph) #FOS: Physical sciences

paper · doi:10.48550/arxiv.2410.16313

Abstract

We explore the fascinating world of Circumacenes, a unique family of organic molecules. Our research demonstrarates the calculation of essential topological indices, including the first and second-Zagreb indices, as well as related generalized indices, and their relationship with the structure of these molecules. We also indicate how these indices can help predict crucial thermodynamic properties, such as gap energy and electron affinity energy, using an innovative method called the Topological Indices Method (TIM).

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