Extended Data Fig. 10: Correlation between tetrahedral order and stretching frequencies.
From: Water structure and electric fields at the interface of oil droplets
The relationship between OH-stretching frequencies and the tetrahedral order parameter q4 in simulation. a,b, We show the frequencies corresponding to the third and fourth excited states (which generally correspond to the stretching modes) for a, the SPC/E and b, the AMOEBA models computed from our local monomer model for a subset of waters in our simulations. We only include waters that have both hydrogens participating in H-bonds. c,d, Average frequencies at different q4 for the SPC/E and AMOEBA models, respectively. The error bars represent the standard deviation.
