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6 ta ish

Ish: Adsorption of melphalan anticancer drug on C24, B12N12, B12C6N6, B6C12N12 and B6C6N12 nanocages: A comparative DFT study

  1. A theoretical study on adsorption and sensing of SO2, CS2, CO2, CH2O, H2O, C2H2, and CF3H air pollutant gases by B3S monolayer

    Mohamed J. Saadh, Nizomiddin Juraev, Mohammed Ahmed Mustafa +6

    Maqola2D Materials and ApplicationsStructural Chemistry20241 iqtibos
    ABI

  2. A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages

    Vincent de Paul Zoua, Fritzgerald Kogge Bine, Ismaèl Figapka Pagoré +2

    MaqolaBoron and Carbon Nanomaterials ResearchComputational and Theoretical Chemistry20240 iqtibos
    ABI

  3. Transition metal doped graphdiyne like BN monolayer a promising 2D material for reusable SO2 gas with a high selectively

    Maher Ali Rusho, Abdulrahman Qais Khaleel, Prakash Kanjariya +6

    Maqola2D Materials and ApplicationsInorganic Chemistry Communications20250 iqtibos
    ABI

  4. Branched [4]Phenylene molecular unit for adsorption, removal, and selective sensing of toxic and volatile gases: Insights from DFT and TD-DFT analyses

    Bhishma Karki, Ali B.M. Ali, Egambergan Khudoynazarov +8

    MaqolaCovalent Organic Framework ApplicationsMaterials Chemistry and Physics20250 iqtibos
    ABI

  5. Development of efficient both work function and electric type sensor for the detection of nitrous oxide toxic gas via TM metal boron nitride graphdiyne nanosheets: A DFT study

    Chou-Yi Hsu, Tanveer Ahmed, Muyassar Norberdiyeva +8

    MaqolaGraphene research and applicationsJournal of Photochemistry and Photobiology A Chemistry20250 iqtibos
    ABI

  6. Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

    Bhishma Karki, Ali B.M. Ali, G. PadmaPriya +8

    MaqolaGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20260 iqtibos
    ABI