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  • Open Access

    ARTICLE

    Topological Characterization and Predictive Modeling of Graph Energy in Ionic Covalent Organic Frameworks

    Micheal Arockiaraj1,*, Aravindan Maaran2, C. I. Arokiya Doss2

    CMC-Computers, Materials & Continua, Vol.85, No.1, pp. 637-655, 2025, DOI:10.32604/cmc.2025.065674 - 29 August 2025

    Abstract Covalent organic frameworks (COFs) are crystalline materials composed of covalently bonded organic ligands with chemically permeable structures. Their crystallization is achieved by balancing thermal reversibility with the dynamic nature of the frameworks. Ionic covalent organic frameworks (ICOFs) are a subclass that incorporates ions in positive, negative, or zwitterionic forms into the frameworks. In particular, spiroborate-derived linkages enhance both the structural diversity and functionality of ICOFs. Unlike electroneutral COFs, ICOFs can be tailored by adjusting the types and arrangements of ions, influencing their formation mechanisms and physical properties. This study focuses on analyzing the graph-based structural… More >

  • Open Access

    ARTICLE

    Analysis of Eigenvalues for Molecular Structures

    Muhammad Haroon Aftab1, Kamel Jebreen2,*, Mohammad Issa Sowaity3, Muhammad Hussain4

    CMC-Computers, Materials & Continua, Vol.73, No.1, pp. 1225-1236, 2022, DOI:10.32604/cmc.2022.029009 - 18 May 2022

    Abstract In this article, we study different molecular structures such as Polythiophene network, for and , Orthosilicate (Nesosilicate) , Pyrosilicates (Sorosilicates) , Chain silicates (Pyroxenes), and Cyclic silicates (Ring Silicates) for their cardinalities, chromatic numbers, graph variations, eigenvalues obtained from the adjacency matrices which are square matrices in order and their corresponding characteristics polynomials. We convert the general structures of these chemical networks in to mathematical graphical structures. We transform the molecular structures of these chemical networks which are mentioned above, into a simple and undirected planar graph and sketch them with various techniques of mathematics.… More >

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