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11 ta ish

Ish: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

  1. Exploring the structural, opto-electronics and elastic properties of fluoro-perovskites KXF3 (X = Ir, Rh): A first-principles study

    Ali Algahtani, Naimat Ullah Khan, Abdullah Abdullah +8

    MaqolaHeusler alloys: electronic and magnetic propertiesInorganic Chemistry Communications20235 iqtibos
    ABI

  2. Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

    Polina Tereshchuk, Juarez L. F. Da Silva

    MaqolaAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20121 iqtibos
    ABI

  3. Exchange and correlation interactions and band structure of non-close-packed solids

    G. V. Grushevskaya, L I Komarov, Л. И. Гурский

    MaqolaSolid-state spectroscopy and crystallographyPhysics of the Solid State19980 iqtibos
    ABI

  4. Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface

    Polina Tereshchuk, Juarez L. F. Da Silva

    MaqolaAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20130 iqtibos
    ABI

  5. Dynamics and stability of icosahedral Fe–Pt nanoparticles

    Paweł T. Jochym, Jan Łażewski, M. Sternik +1

    Maqolananoparticles nucleation surface interactionsPhysical Chemistry Chemical Physics20150 iqtibos
    ABI

  6. Local heterojunctions of atomic Pt clusters boost the oxygen reduction activity of Rucore@Pdshell nanocrystallites

    Jeng‐Han Wang, Kuan‐Wen Wang, Tian-Lin Chen +4

    MaqolaElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20160 iqtibos
    ABI

  7. First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

    Ehsan Zahedi, Mirabbos Hojamberdiev

    MaqolaHigh-pressure geophysics and materialsThe European Physical Journal B20170 iqtibos
    ABI

  8. A thin and high-strength composite polymer solid-state electrolyte with a highly efficient and uniform ion-transport network

    Peiran Shi, Jiabin Ma, Yanfei Huang +6

    MaqolaAdvanced Battery Materials and TechnologiesJournal of Materials Chemistry A20210 iqtibos
    ABI

  9. Electronic, magneto-optic and band alignments of MnO2/AlN and MnO2/SiC topological vdW hetrostructures: A DFT study

    Abdulrahman Qais Khaleel, Abhinav Kumar, Farag M. A. Altalbawy +7

    Maqola2D Materials and ApplicationsSolid State Communications20250 iqtibos
    ABI

  10. Investigating the capacity of Co-doped BN-yne in catalyzing the dissociation of carbon dioxide through density functional theory computations

    Ali B.M. Ali, Narinderjit Singh Sawaran Singh, Luma Hussain Saleh +8

    MaqolaCarbon dioxide utilization in catalysisJournal of the Indian Chemical Society20250 iqtibos
    ABI

  11. Tailoring the optical and thermodynamic response of bulk Cs2 GeTmI6 via vacuum Thickness: First principle study

    Shabir Ali, Ali B.M. Ali, Xinhua Wang +6

    MaqolaPerovskite Materials and ApplicationsInternational Journal of Modern Physics C20250 iqtibos
    ABI