Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#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.

Board footer

Powered by FluxBB