A fully detailed description of these descriptors as well as their labeling names are given in Table . corresponds to the average of the Boltzmann factors ⟨exp(-ℰ int /𝑅𝑇 )⟩, while the adsorption enthalpies is the Boltzmann average of the interaction energies -all these concepts have been used and summarized in our previous paper on the surface sampling of energies to determine adsorption enthalpy and Henry's constant. The adsorption Gibbs free energy ∆ ads 𝐺 can then be deduced from the Henry's constant since ∆ ads 𝐺 = -𝑅𝑇 ln (⟨exp(-ℰ int /𝑅𝑇 )⟩), and finally the adsorption entropy naturally derives from the Gibbs energy: ∆𝐺 = ∆𝐻 -𝑇 ∆𝑆.