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. Author manuscript; available in PMC: 2022 Jun 28.
Published in final edited form as: J Chem Inf Model. 2021 Jun 7;61(6):2806–2817. doi: 10.1021/acs.jcim.1c00426

Table 2.

Relative weight between different QM data sets on ionic interactions.

Dataset Relative weight
Ion-water dimer 1
Ion homodimer 1E-2
Ion heterodimer 1E-2
Ion linear trimer 1E-6
Ion-water cluster 1