https://doi.org/10.1140/epje/s10189-025-00538-8
Research - Living Systems
Investigating topological indices and heat of formation for magnesium nitride using a curve fitting approach
1
Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Pakistan
2
Department of Mathematics and Statistics, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia
3
Department of Mathematics and Statistics, The University of Lahore, Lahore Campus, Pakistan
Received:
8
July
2025
Accepted:
21
November
2025
Published online:
9
December
2025
This paper delves into the intricate relationship between the magnesium nitrogen (
)network and its connection to topological indices and the heat of formation. By analyzing a variety of topological indices, we utilize a curve fitting model to predict and clarify the heat of formation—-a vital thermodynamic factor that impacts the stability and reactivity of .Through a detailed correlation analysis, we uncover significant trends and relationships linking the heat of formation with topological indices like the Gutman, Randić, and Zagreb indices. Our findings indicate that the curve fitting model not only yields accurate predictions but also enhances our understanding of the molecular interactions within the network. Regression techniques will be employed to obtain a curve fitting model, which correlates such indices with experimentally determined heats of formation. These analyses illustrate the accuracy with which thermodynamic properties have been reproduced using the model; it outlines the relevance that topological descriptors have received in computational chemistry so far. By analyzing these results, several insights were obtained into the energetic behavior of magnesium-nitrogen compounds and are pointed out with respect to which role graph-theoretical approaches so far played for the development of material science and chemical engineering.
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Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
