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5 та иш

Иш: Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules

  1. Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and ADME/T studies

    Mohamed Rbaa, Asmaa Oubihi, Halima Hajji +7

    МақолаSynthesis and biological activityJournal of Molecular Structure20217 иқтибос
    ABI

  2. The drug delivery of methimazole through the sensing function assessments of BeO fullerene-like particles: DFT study

    Mounir M. Salem‐Bekhit, Miao Dai, Mavjuda Rakhmatullaeva +3

    МақолаGraphene research and applicationsChemical Physics Impact20235 иқтибос
    ABI

  3. Comparative theoretical study of Al- and Ga-doped T-graphene for enhanced NO sensing

    Nagindar K. Singh, Abdulrahman T. Ahmed, Ф. К. Алимова +8

    МақолаGraphene research and applicationsSurface Science20251 иқтибос
    ABI

  4. Assessing a B12C12 nanocage for the pyrazinamide drug adsorption along with DFT insights for providing drug up-take platforms

    Chou‐Yi Hsu, Hadil Faris Alotaibi, Shahad Mohammed Dhiaa Younis +3

    МақолаBoron and Carbon Nanomaterials ResearchJournal of the Indian Chemical Society20250 иқтибос
    ABI

  5. Unveiling the mechanism of enhanced SO₃ sensing on P-doped T-graphene: The critical roles of donor-acceptor interactions and dopant hybridization

    Qamar Abuhassan, G. PadmaPriya, Subhashree Ray +8

    МақолаGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20250 иқтибос
    ABI