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      Interaction mechanism between different facet TiO2 and U(VI): Experimental and density-functional theory investigation

      , , , ,
      Chemical Engineering Journal
      Elsevier BV

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          Generalized Gradient Approximation Made Simple

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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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              Projector augmented-wave method

              P. Blöchl (1994)
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                Author and article information

                Contributors
                Journal
                Chemical Engineering Journal
                Chemical Engineering Journal
                Elsevier BV
                13858947
                March 2019
                March 2019
                : 359
                : 944-954
                Article
                10.1016/j.cej.2018.11.092
                fe285fb6-8f44-4622-8521-749a2eaefd8b
                © 2019

                https://www.elsevier.com/tdm/userlicense/1.0/

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