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Extremal Molecular Descriptors for Oxide and Silicate Networks

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Abstract

Topological indices are numerical molecular descriptors that reveals structure-property relationship of chemical structures without employing any wet lab. Among numerous kind of indices, neighborhood degree sum (NDS) based indices are recently found to be significant in explaining physico-chemical properties of molecules. The present work focuses on determining optimum values of NDS-indices for the class of silicate and oxide networks. Some general formulations of the indices are obtained first for dominating, regular triangulene, and rhombus type silicate and oxide networks, and Copper oxide network. Explicit expressions of some NDS-indices are then generated. Finally, extremal conditions for the indices are established in terms of different network parameters. A graphical comparison of the outcomes is also reported.

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Acknowledgements

This work was supported by the Postdoctoral Research Program of Sungkyunkwan University (2023).

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Authors and Affiliations

  1. Department of Mathematics, National Institute of Technology, Durgapur, West Bengal, 713209, India

    Parikshit Das & Anita Pal

  2. Department of Mathematics, Sungkyunkwan University, Suwon, 16419, Republic of Korea

    Sourav Mondal

  3. Department of Mathematics, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603203, India

    Sourav Mondal

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  1. Parikshit Das
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  2. Sourav Mondal
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  3. Anita Pal
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Contributions

Conceptualization: Sourav Mondal; Investigation: Sourav Mondal, Anita Pal; Writing-original draft preparation: Parikshit Das, Sourav Mondal and Anita Pal; Writing-review and editing: Parikshit Das, Sourav Mondal and Anita Pal.

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Correspondence to Sourav Mondal.

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Das, P., Mondal, S. & Pal, A. Extremal Molecular Descriptors for Oxide and Silicate Networks. Silicon 15, 7565–7577 (2023). https://doi.org/10.1007/s12633-023-02594-1

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