Browsing by Subject "first-principles calculations"
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First-Principles Diffusivity Ratios for Kinetic Isotope Fractionation of Water in Air
(Geophysical Research Letters, 2020)Kinetic isotope fractionation between water vapor and liquid water or ice depends on the ratio of the diffusivities of the isotopic species in air, but there is disagreement as to the values of these ratios and limited ...