https://mazziotti.uchicago.edu/qcdictionary/b_terms/bond_dissociation_energy/index.html Bond dissociation energy (BDE) quantifies the energetic cost of breaking a chemical bond and separating a molecule into two fragments at infinite separation. In quantum chemistry, it is defined as the difference between the total electronic energy of a molecule at its equilibrium geometry and the sum of the electronic energies of the resulting fragments in their ground electronic states. Hugo en-us