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. Author manuscript; available in PMC: 2014 Oct 24.
Published in final edited form as: J Phys Chem B. 2013 Jul 25;117(42):10.1021/jp4037217. doi: 10.1021/jp4037217

TABLE I.

Selected simulation details for KBFF-SPC/E runs.

Nominal urea
concentration (M)
Actual urea
concentration (M)
N (urea) N (water) Average box
length (nm)
0 0.00 0 2213 4.0494
0.5 0.52 21 2163 4.0508
4 4.02 161 1818 4.0510
8 8.03 321 1420 4.0493