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7 works

Work: Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem

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  5. A computational investigation of monolayer HB: Effective NH3 gas sensor with highly sensor response

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  6. Density functional theory investigation of hydroxyzine adsorption on silver clusters: implications for SERS-based sensing and interfacial stability

    Jamelah S. Al-Otaib, Y. Sheena Mary, Mirjalol Ismoilov +2

    ArticleNanocluster Synthesis and ApplicationsJournal of Molecular Liquids20260 citations
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  7. Evaluation of graphene like SiC2 as an electrode material for Ca-ion batteries: A DFT study

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