<![CDATA[Multiwfn forum / electrical conductivity (σ) and adsorbent recovery time calculations]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?id=988 Mon, 15 Apr 2024 04:19:32 +0000 FluxBB <![CDATA[electrical conductivity (σ) and adsorbent recovery time calculations]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3773#p3773 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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