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. Author manuscript; available in PMC: 2017 Nov 28.
Published in final edited form as: J Phys Chem B. 2015 Dec 17;120(8):1894–1910. doi: 10.1021/acs.jpcb.5b09656

Figure 7.

Figure 7

Radial distribution function (RDF) of the water oxygen with respect to the Cu ion obtained from the equilibrium simulation of 10 ns using VALBOND force field (left) and 5 ns using DFTB3/MM (right).