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. 2016 Apr 27;37(17):1589–1600. doi: 10.1002/jcc.24375

Figure 4.

Figure 4

Example of structures used for the PM6‐DH2X calculations, including 19 or 48 water molecules for the calculations with (a) and without (b) NOA, respectively. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]