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. 2012 May 7;109(21):7988-7991. doi: 10.1073/pnas.1203365109

Table 2.

Decomposition of the components leading to the fractionation ratio, 103 ln αl-v at 620 K

Model Stretch OH Plane Orth Total
q-SPCFw harmonic −3 13 20 30
Hq-TIP4P/F harmonic −3 11 20 28
q-TIP4P/F anharmonic −40 13 22 -5
Aq-SPCFw anharmonic −40 13 21 -6

The labeling is identical to that in Table 1.