Energy of protonation

Definition:

E_MH – quantum-chemically calculated energy of neutral molecular species

E_MH⁺ – quantum-chemically calculated energy of protonated species

E_H⁺ – energy of proton in the given reference system

Reference:

1. G. Trapani, A. Carotti, M. Franco, A. Latrofa, G. Genchi, G. Liso, G. Eur. J. Med. Chem., 1993, 28, 13