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. 2015 Jun 9;119(26):8406–8418. doi: 10.1021/acs.jpcb.5b02936

Table 2. Mean Values of the Order Parameters for Bulk Water Molecules at 298 and 260 K, Together with Their Relative Change between 298 and 260 K (the Half-Width of the Student 95% Confidence Interval Calculated on Three Blocks Is Given in Parentheses).

  bulk at 298 K bulk at 260 K relative change (%)
asphericity η 1.6624 (0.0014) 1.7048 (0.0009) +2.55 (0.14)
density ρ (Å–3) 0.03372 (0.00001) 0.033639 (0.00004) –0.26 (0.02)
q 0.6686 (0.0023) 0.7297 (0.088) +9.14 (1.35)
Sk 0.99900 (0.00001) 0.999171 (0.000003) +0.020 (0.001)
LSI (Å2) 0.0382 (0.0004) 0.0509 (0.0003) +33.5 (12.6)
E (V Å–1) 1.8290 (0.0014) 1.9648 (0.0032) +7.43 (0.86)