4.7 Article

Mathematical analysis and molecular descriptors of two novel metal-organic models with chemical applications

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SCIENTIFIC REPORTS
卷 13, 期 1, 页码 -

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NATURE PORTFOLIO
DOI: 10.1038/s41598-023-32347-4

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Metal-Organic Networks (MONs) are crystalline porous solids made of metal ions and organic ligands, with wide-ranging applications in gas storage, purification, drug delivery, separation, catalysis, and sensing. The study focuses on calculating and analyzing various molecular descriptors for two separate MONs, which play a crucial role in theoretical and ecological chemistry, as well as medicine.
Metal-Organic Networks (MONs) are made by chemical molecules that contain metal ions and organic ligands. A crystalline porous solid called Metal-Organic Networks (MONs) is made up of a 3D metal network of ions held in place by a multidentate ligand. (MONs) can be used for gas storage, purification drug delivery, gas separation, catalysis, and sensing applications. There is enormous potential for effective integration and research of MONs in diverse applications. Molecular descriptors are arithmetic measures that reveal a chemical substance's physical and chemical characteristics in its foundational network in a natural relationship. They demonstrate an important role in theoretical and ecological chemistry, and in the field of medicine. In this research, we calculated various recently discovered molecular descriptors viz. the modified version of second zagreb index, harmonic index, reciprocal randic index, modified version of forgotten topological index, redefined first zagreb topological index, redefined second zagreb topological index and redefined third zagreb topological index for two separate metal-organic networks. The numerical and graphical comparative analysis of these considered molecular descriptors are also performed.

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