Table 2.
Adsorption energies (ΔEi) for different sites determined using the B3LYP method combined with the 6-31G basis.
PAF-6-analytes | ΔEi (kcal/mol) |
---|---|
PAF-6-azithromycin | −23.47 |
PAF-6-clarithromycin | −16.21 |
PAF-6-roxithromycin | −12.13 |
PAF-6-tilmicosin | −5.58 |
PAF-6-tylosin | −21.25 |
PAF-6-kitasamycin | −3.45 |