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4 works

Work: A DFT/TD-DFT investigation of clozapine adsorption on B <sub>12</sub> Y <sub>12</sub> (Y = N, P) nanocages as vehicles for applications in schizophrenia treatment

  1. DFT Insights into the Adsorption Mechanisms and Electronic Modulation of α-Phographene Toward Metal and Molecular Species: From Physisorption to Quasi Covalent Binding

    Qamar Abuhassan, Ahmed Kareem Obaid Aldulaimi, Omayma Salim Waleed +8

    ArticleGraphene research and applicationsJournal of Inorganic and Organometallic Polymers and Materials20260 citations
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  2. Selective gas sensing and electronic response of Al-decorated phographene (Al-d-PHOG) nanosheets: Insights from DFT and electron density analyses

    Bhishma Karki, Ahmed Aldulaimi, Omayma Salim Waleed +8

    ArticleGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20260 citations
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  3. Tuning Biomolecular Adsorption and Electronic Sensitivity of α-Phographene via Targeted Heteroatom Doping

    Qamar Abuhassan, Mohamed Abu Shuheil, Rafid Kamal Jameel +8

    ArticleGraphene research and applicationsJournal of Inorganic and Organometallic Polymers and Materials20260 citations
    ABI

  4. Selective detection of atmospheric pollutant gases on a B2C3N nanosheet: A comprehensive DFT, electronic structure, and topological analysis of adsorption mechanisms

    Nagendra P. Yadav, Ghada Al-Assi, Ahmed Aldulaimi +8

    ArticleBoron and Carbon Nanomaterials ResearchJournal of Physics and Chemistry of Solids20260 citations
    ABI