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. 2019 Feb 8;15(3):1743–1760. doi: 10.1021/acs.jctc.8b01265

Figure 1.

Figure 1

Thermochemical cycle for calculating proton affinities (PAs). IP(H) and IP(M) are the ionization potentials of the hydrogen atom and of molecule M, respectively, and ΔEdiss is the dissociation energy.