Topological Descriptor Analysis of Periodic Supramolecular Star Lattices
Abstract
This study presents a comprehensive topological analysis of periodic molecular graphs derived from supramolecular star lattices. By leveraging the inherent symmetry and periodicity of the lattice, we derive closed-form expressions for a range of distance-based and degreebased topological indices. These descriptors quantitatively capture the connectivity and structural complexity of the supramolecular framework, offering insights that support future exploration in nanomaterials design. The results strengthen the theoretical understanding of extended molecular networks and lay the groundwork for potential applications in materials modeling and computational chemistry.
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We are pleased to submit our manuscript entitled “Topological Descriptor Analysis of Periodic Supramolecular Star Lattices” for consideration in Boletim da Sociedade Paranaense de Matemática.
This article presents original closed-form expressions for a wide class of distance-based and degree-based topological indices of supramolecular star lattices by employing the cut method and degree-partitioning techniques. The results generalize earlier studies on benzenoid systems, nanocones, and carbon nanostructures (see, e.g., Arockiaraj et al. 2020; Ashrafi & Yousefi-Azari 2009; Klavžar & Nadjafi-Arani 2014) to a new class of periodic supramolecular graphs.
We believe this contribution refines and extends existing frameworks in chemical graph theory and mathematical chemistry, offering potential applications in nanomaterials modeling and QSPR/QSAR studies.
The work is original, not under review elsewhere, and all authors have approved the submission. There are no competing interests to declare.
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