Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods.

Lustemberg, Pablo G; Plessow, Philipp N; Wang, Yuemin; Yang, Chengwu; Nefedov, Alexei; Studt, Felix; Wöll, Christof; Ganduglia-Pirovano, M Verónica

Lustemberg, Pablo G; Plessow, Philipp N; Wang, Yuemin; Yang, Chengwu; Nefedov, Alexei; Studt, Felix; Wöll, Christof; Ganduglia-Pirovano, M Verónica.

Afiliação

Lustemberg PG; Institute of Physics Rosario, IFIR, National Scientific and Technical Research Council, CONICET, and National University of Rosario, UNR, S2000EKF Rosario, Santa Fe, Argentina.
Plessow PN; Institute of Catalysis and Petrochemistry, ICP, Spanish National Research Council, CSIC, 28049 Madrid, Spain.
Wang Y; Institute of Catalysis Research and Technology, IKFT, Karlsruhe Institute of Technology, KIT, 76344 Eggenstein-Leopoldshafen, Germany.
Yang C; Institute for Chemical Technology and Polymer Chemistry, ITCP, Karlsruhe Institute of Technology, KIT, Karlsruhe 76131, Germany.
Nefedov A; Institute for Chemical Technology and Polymer Chemistry, ITCP, Karlsruhe Institute of Technology, KIT, Karlsruhe 76131, Germany.
Studt F; Institute for Chemical Technology and Polymer Chemistry, ITCP, Karlsruhe Institute of Technology, KIT, Karlsruhe 76131, Germany.
Wöll C; Institute of Catalysis Research and Technology, IKFT, Karlsruhe Institute of Technology, KIT, 76344 Eggenstein-Leopoldshafen, Germany.
Ganduglia-Pirovano MV; Institute for Chemical Technology and Polymer Chemistry, ITCP, Karlsruhe Institute of Technology, KIT, Karlsruhe 76131, Germany.

Phys Rev Lett ; 125(25): 256101, 2020 Dec 18.

Article em En | MEDLINE | ID: mdl-33416353

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: Phys Rev Lett Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Argentina País de publicação: Estados Unidos

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