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    #1 Quantum Chemistry electrical conductivity (σ) and adsorbent recovery time calculations 2024-04-15 04:19:32

    RajaRgm
    Replies: 0

    Dear sir

    regarding adsorption studies we done DFT calculations (optimization)
    how can we calculate electrical conductivity (σ) and  adsorbent recovery time.
    values are  Egap = 4.133, T= 298.15 K.

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