Relative Gibbs free energies (kJ mol−1) of the interaction between the target/analogous molecules and MAA, and the molar volumes of the target and analogous molecules (bohr3 mol−1). Clo = chloroform and Tol = toluene.
ΔΔG | Volume | |||
---|---|---|---|---|
Clo | Tol | Clo | Tol | |
Quinoline | 0.00 | 0.00 | 1335.92 | 1320.61 |
DBT | 68.07 | 66.61 | 1609.87 | 1586.63 |
Carbazole | 36.72 | 46.32 | 1442.77 | 1325.16 |