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(2020) Calculation of Selenium Isotope Fractionation Using Density Functional Theory

Shrimpton H, Nooijen M, Ptacek C & Blowes D


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13f: Room 4, Thursday 25th June 00:42 - 00:45

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Submitted by Weibin Chen on Tuesday 23rd June 21:22
Great talk and very interesting! For reactions are still not at equilibrium, what model you recommend to theoretically calculate the KIE? Thanks!

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