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      On-the-fly assessment of diffusion barriers of disordered transition metal oxyfluorides using local descriptors

      , , , , ,
      Electrochimica Acta
      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
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                Journal
                Electrochimica Acta
                Electrochimica Acta
                Elsevier BV
                00134686
                August 2021
                August 2021
                : 388
                : 138551
                Article
                10.1016/j.electacta.2021.138551
                0d4ecefd-d9fc-44e2-a1ef-191d1134fc5e
                © 2021

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

                http://creativecommons.org/licenses/by/4.0/


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