Catalyst Research: Molecular Probes Require Highly Precise Calculations

  • chair:

    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. 
  • place:

    Press releases 120/2020
  • Date: 2020