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9 ta ish

Ish: Accurate description of van der Waals complexes by density functional theory including empirical corrections

  1. Study the application of pristine and Sn metal doped B2CN3 monolayer as an anode for Cs-ion battery

    Ali B.M. Ali, Abdulrahman T. Ahmed, Suranjana V. Mayani‎ +7

    MaqolaMXene and MAX Phase MaterialsJournal of Alloys and Compounds20254 iqtibos
    ABI

  2. RETRACTED: Systematically theoretical investigation the effect of nitrogen and iron-doped graphdiyne on the oxygen reduction reaction mechanism in proton exchange membrane fuel cells

    Daniyal Irfan, Maria Jade Catalan Opulencia, Saade Abdalkareem Jasim +4

    MaqolaElectrocatalysts for Energy ConversionInternational Journal of Hydrogen Energy20220 iqtibos
    ABI

  3. A theoretical study on the application of zinc oxide nanotube for selective detection of BF3 and BCl3

    Vanessa Valverde, Saade Abdalkareem Jasim, Ahmed Elawady +6

    MaqolaGas Sensing Nanomaterials and SensorsPhysica B Condensed Matter20230 iqtibos
    ABI

  4. DFT Study of the Possibility of Delivering Antiviral Drugs Using Chitosan

    И. Н. Нургалиев, Н. Д. Бурханова

    MaqolaProtein purification and stabilityJournal of Structural Chemistry20240 iqtibos
    ABI

  5. Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study

    Shaker Al‐Hasnaawei, Farag M. A. Altalbawy, Prakash Kanjariya +6

    Maqola2D Materials and ApplicationsComputational Materials Science20250 iqtibos
    ABI

  6. Design of silicon-decorated T-graphene flake for hydroxyurea drug sensing applications

    Ayman M. Al‐Qaaneh, Fadhel F. Sead, Jayanti Makasana +6

    MaqolaGraphene research and applicationsInorganic Chemistry Communications20250 iqtibos
    ABI

  7. 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

  8. Introducing a new type of boron nitride allotrope 2D monolayer high-performance anode for magnesium batteries

    Rassol Hamed Rasheed, Ammar Kh. Hammad, Egambergan Khudoynazarov +8

    MaqolaAdvancements in Battery MaterialsJournal of Photochemistry and Photobiology A Chemistry20250 iqtibos
    ABI

  9. 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