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Constructing Mixed Density Functionals for Describing Dissociative Chemisorption on Metal Surfaces: Basic Principles.
Tchakoua, Théophile; Jansen, Tim; van Nies, Youri; van den Elshout, Rebecca F A; van Boxmeer, Bart A B; Poort, Saskia P; Ackermans, Michelle G; Beltrão, Gabriel Spiller; Hildebrand, Stefan A; Beekman, Steijn E J; van der Drift, Thijs; Kaart, Sam; Santic, Anthonie; Spuijbroek, Esmee E; Gerrits, Nick; Somers, Mark F; Kroes, Geert-Jan.
Afiliação
  • Tchakoua T; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Jansen T; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • van Nies Y; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • van den Elshout RFA; Department of Chemical Engineering, Delft University of Technology, 2629 HZ Delft, The Netherlands.
  • van Boxmeer BAB; Faculty of Applied Engineering, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerpen, Belgium.
  • Poort SP; Department of Chemical Engineering, Delft University of Technology, 2629 HZ Delft, The Netherlands.
  • Ackermans MG; Department of Chemical Engineering, Delft University of Technology, 2629 HZ Delft, The Netherlands.
  • Beltrão GS; Department of Chemical Engineering, Delft University of Technology, 2629 HZ Delft, The Netherlands.
  • Hildebrand SA; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Beekman SEJ; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • van der Drift T; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Kaart S; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Santic A; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Spuijbroek EE; Department of Chemical Engineering, Delft University of Technology, 2629 HZ Delft, The Netherlands.
  • Gerrits N; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Somers MF; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Kroes GJ; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
J Phys Chem A ; 127(49): 10481-10498, 2023 Dec 14.
Article em En | MEDLINE | ID: mdl-38051300
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Holanda
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Holanda