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by DrChenXray
Mon Sep 26, 2016 10:29 pm
Forum: VTSTTools
Topic: What kind of energy does vef.pl output?
Replies: 1
Views: 9755

What kind of energy does vef.pl output?

I'm trying to do some benchmarking based on adsorption enthalpy. I have adsorption enthalpy values obtained from experiments. I have also simulated initial and final state of a simple molecular adsorption. However, I'm not sure what kind of energy vef.pl outputs. What kind of energy does vef.pl ...