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Model dependence of quantum isotope effects in liquid water
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28.A difference in scale for the absolute amplitudes exists between the data reported in Ref. 12 and the calculated data obtained here via the equations given. This appears in both the (q) obtained in Ref. 12 from our simulated data, and in the (rpar; obtained by us from the data reported in Ref. 12. An equivalent discrepancy does not appear in comparison to the data reported by Egelstaff and Root in Ref. 11. Since our goal here is comparison to experimental data, we have scaled the calculated result for to the same scale used in Ref. 12, based on the known results for the ST2 model. This rescaling has no significance in terms of interpretation and conclusions in the current work.
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