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. 2017 Nov 7;14(1):255–273. doi: 10.1021/acs.jctc.7b00779

Figure 10.

Figure 10

Radial distribution of the sixth closest atom of oxygen to the zinc ion in the parallel tempering sample (a) for the Zn2+/H2O system and in a subset of the first one obtained by the combinatorial optimization of a selection of the first one that maximizes eq 31 (b). For the parallel tempering sample the elements are 20000; in the subset they are 100.