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Work: Elucidating the multifunctional properties of double perovskite hydrides X2MnTlH6 (X = Na, K): A DFT study of half-metallicity, magnetism, hydrogen storage, and optical properties

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    Book19963 citations
    ABI
  2. Efficient mixed-force first-principles molecular dynamics

    Eduardo Anglada, Javier Junquera, José M. Soler

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  3. Untitled

    Other1 citations
    ABI
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    Other1 citations
    ABI
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    Other1 citations
    ABI
  6. Untitled

    Other1 citations
    ABI