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Calculated activation energies for the addition of water to the aryl phosphate dianions shown in Figure 3 as well as to the methyl phosphate dianion via either a solvent (blue solid circles) or substrate-assisted (black solid circles) pathway. The energies were obtained at the (left) SMD-M06-2X/6-311+G(d,p)//SMD-M06-2X/6-31+G(d) and (right) SMD-ωB97X-D/6-311+G(d,p)//SMD-ωB97X-D/6-31+G(d) levels of theory, respectively, with the corresponding numerical values presented in Table 1.
