(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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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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