Katalysatorforschung: Molekulare Sonden erfordern hochgenaue Rechnungen
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Autor:
Pablo G. Lustemberg, Philipp Pleßow, Yuemin Wang, Chengwu Yang, Alexei Nefedov, Felix Studt, Christof Wöll, and M. Verónica Ganduglia-Pirovano: Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods. Physical Review Letters, 2020. DOI: 10.1103/PhysRevLett.125.256101.
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Quelle:
Presseinformation 120/2020
- Datum: 2020