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. 2018 Apr 17;14(5):2667–2677. doi: 10.1021/acs.jctc.8b00170

Figure 6.

Figure 6

Correction needed for the MS diffusion coefficients versus the extrapolated Darken equation with the modification factor included (Γ–1(ĐDarkenĐDarken)) for (a) LJ and (b) molecular systems computed with 500 LJ particles/250 molecules (blue circles), 1000 LJ particles/500 molecules (red squares), 2000 LJ particles/1000 molecules (green diamonds), and 4000 LJ particles/2000 molecules (magenta pentagons). The dashed lines show perfect agreement. The statistical uncertainties are listed in the Supporting Information.