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. Author manuscript; available in PMC: 2021 Jun 3.
Published in final edited form as: J Chem Theory Comput. 2020 Jun 29;16(7):4429–4442. doi: 10.1021/acs.jctc.0c00194

Figure 5.

Figure 5.

Reaction energies of the [Zn(H2O)n]2++ H2O → [Zn(H2O)n+1]2+ reaction along with n for different parameter sets in conjugation with different water models. The QM results are shown in black. The data used to generate these figures are given in Table S11.