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Professor Dr. Joachim Sauer

Address Humboldt-Universität zu Berlin
Institut für Chemie
Arbeitsgruppe Quantenchemie
Unter den Linden 6
10099 Berlin

Projects

As Applicant
- Current projects
  - NSF-DFG Confine: Diffusion of Water Confined in Patterned Hydrophilic-Hydrophobic Nanopores (Research Grants)
  - Chemically accurate predictions for the effect of water on the structure and reactivity of zeolite catalysts (Research Grants)
  - Mixed Metal Oxide Clusters: Model Systems for Catalytically Active Materials (Research Grants)
- Completed projects
  - Struktur, Dynamik und elektronische Wechselwirkungen verschiedener Gastsysteme mit Zeolithkäfigen (Priority Programmes)
  - Säure-Base katalysierte Alkanaktivierung (Priority Programmes)
  - Transition structures and rate constants for elementary reaction steps in zeolites (Priority Programmes)
  - Redox-Active MOF-5 Isotypes: Novel Entatic State Catalysts? (Priority Programmes)
  - Ab initio Free Energy Calculations with Chemical Accuracy for Molecule-Surface Interactions (Reinhart Koselleck Projects)
  - Ab initio simulation of isotherms for gas mixtures in metal-organic frameworks (Priority Programmes)
As Spokesperson
- Completed projects
  - SFB 546: Structure, Dynamics and Reactivity of Aggregates of Transition Metal Oxides (Collaborative Research Centres)
As Participating Researcher
- Completed projects
  - EXC 314: Unifying Concepts in Catalysis (Clusters of Excellence)
As Project Head
- Completed projects
  - Struktur und Reaktivität unterschiedlicher Übergangsmetalloxid-Aggregate mit quantenchemischen Methoden (Collaborative Research Centres)
  - DFT-Rechnungen mit periodischen Randbedingungen zur Struktur, Dynamik und Reaktivität von Übergangsmetalloxiden auf Trägern im Vergleich zu Einkristallen (Collaborative Research Centres)
  - Structure determination of VOx and related surfaces, thin films and interfaces based on scanned-energy mode photoelectron diffraction (Collaborative Research Centres)
  - Zentrale Aufgaben (Collaborative Research Centres)
  - Computational studies on microhydrated metal oxide clusters in the gas phase (Collaborative Research Centres)
  - Hydration and hydrolysis in dealumination and desilication of zeolite frameworks (Collaborative Research Centres)
As Host
- Completed projects
  - Quantenchemische Untersuchung von selektiven Oxidationsreaktionen an Molybdänoxid-Katalysatoren (Research Fellowships)

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