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    • Density functional theory prediction of the aqueous speciation of ZrF4 and HfF4 

      Jansen van Vuuren, D.B.; Krieg, H.M.; Van der Westhuizen, D.J.; Van Sittert, C.G.C.E. (SAIMM, 2018)
      Computational chemistry was used to make predictions regarding the stepwise hydrolysis and fluoride dissociation reactions of ZrF4 and HfF4 in aqueous solutions. Specifically, density functional theory was used to predict ...