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      Unravelling competitive adsorption phenomena in the aqueous phase reforming of carboxylic acids on Pt catalysts: An experimental and theoretical study

      , , , , ,
      Chemical Engineering Journal
      Elsevier BV

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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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              From ultrasoft pseudopotentials to the projector augmented-wave method

              Physical Review B, 59(3), 1758-1775
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                Author and article information

                Contributors
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                Journal
                Chemical Engineering Journal
                Chemical Engineering Journal
                Elsevier BV
                13858947
                February 2024
                February 2024
                : 482
                : 148902
                Article
                10.1016/j.cej.2024.148902
                773a4c14-b142-491f-8bed-89ecad7639df
                © 2024

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

                http://creativecommons.org/licenses/by-nc-nd/4.0/

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