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. 2017 Aug 24;147(8):085101. doi: 10.1063/1.4991871

TABLE I.

FTIR Peak frequency ωpeak and FWHM from the experiment and the C36 simulations.

ωpeak(cm1) FWHM(cm1)
Expt. 1670 31
SPC/E, 4P 1663 30
TIP3P, 4P 1666 28
SPC/E, 1F 1665 26
TIP3P, 1F 1671 21