However, SMD gives lower ETEs in benzene. While
trends for studied molecules are in gas-phase and benzene identical,
in water the situation is slightly different. PDEs of pyridoxine
and pyridoxal have practically the same value. For used methods,
maximum difference is 5 kJ mol1. PA values for pyridoxal and
pyridoxic acid in Table 3 can also be considered identical. Moreover,
SMD calculations predict the same PAs for pyridoxine, too