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h - liquid coexistence for T>200 K at P= 1 atm (Ref. 18). However, liquid SPC/E is supercooled with respect to ice A, a form of crystalline ice not found in nature, for T<295 K at P = 1 atm.
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85033297659
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note
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More precisely, SPC/E underestimates the effect of the local molecular structure on the thermodynamic properties of the liquid. Indeed, the oxygen pair correlation function of SPC/E has a sharper first peak at ambient and T compared to real water, yet the TMD line occurs at lower T for SPC/E. Hence, the impact of the structured network of hydrogen bonds on thermodynamic behavior is underestimated by SPC/E.
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