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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 1.

Figure 1.

IOD vs HFE quadratic fitting curves based on the scan results of the 12–6 model for each water model and their comparison with the target IOD vs HFE scatter points of divalent metal ions.