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Institution

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Humboldt-Universität zu Berlin
Institut für Chemie
Arbeitsgruppe Quantenchemie

Address Unter den Linden 6
10099 Berlin
Deutschland

GERiT This institution in GERiT

10099 Berlin

Projects

Priority Programmes
- Completed projects
  - Ab initio simulation of isotherms for gas mixtures in metal-organic frameworks
    (Applicant Sauer, Joachim )
  - Redox-Active MOF-5 Isotypes: Novel Entatic State Catalysts?
    (Applicants Sauer, Joachim ; Volkmer, Dirk )
  - Säure-Base katalysierte Alkanaktivierung
    (Applicant Sauer, Joachim )
  - Struktur, Dynamik und elektronische Wechselwirkungen verschiedener Gastsysteme mit Zeolithkäfigen
    (Applicant Sauer, Joachim )
  - Transition structures and rate constants for elementary reaction steps in zeolites
    (Applicant Sauer, Joachim )
Research Fellowships
- Completed projects
  - Quantenchemische Untersuchung von selektiven Oxidationsreaktionen an Molybdänoxid-Katalysatoren
    (Applicant Gregoriades, Laurence J. )
Reinhart Koselleck Projects
- Completed projects
  - Ab initio Free Energy Calculations with Chemical Accuracy for Molecule-Surface Interactions
    (Applicant Sauer, Joachim )
Research Grants
- Current projects
- Completed projects
  - Density Functional Theory Studies on the Activation of CO2 at Spinel-Oxide Surfaces
    (Applicant Paier, Joachim )
Collaborative Research Centres
- Completed projects
  - Computational studies on microhydrated metal oxide clusters in the gas phase
    (Project Heads Bischoff, Florian ; Sauer, Joachim )
  - DFT-Rechnungen mit periodischen Randbedingungen zur Struktur, Dynamik und Reaktivität von Übergangsmetalloxiden auf Trägern im Vergleich zu Einkristallen
    (Project Heads Ganduglia-Pirovano, Maria Veronica ; Paier, Joachim ; Sauer, Joachim )
  - Hydration and hydrolysis in dealumination and desilication of zeolite frameworks
    (Project Head Sauer, Joachim )
  - Interaction of water with metal oxide surfaces - Computational studies on thin film models
    (Project Heads Paier, Joachim ; Voloshina, Elena )
  - SFB 546: Structure, Dynamics and Reactivity of Aggregates of Transition Metal Oxides
    (Spokesperson Sauer, Joachim )
  - Structure determination of VOx and related surfaces, thin films and interfaces based on scanned-energy mode photoelectron diffraction
    (Project Heads Sauer, Joachim ; Woodruff, David Phillip )
  - Struktur und Reaktivität unterschiedlicher Übergangsmetalloxid-Aggregate mit quantenchemischen Methoden
    (Project Heads Döbler, Jens ; Sauer, Joachim ; Sierka, Marek )
  - Zentrale Aufgaben
    (Project Head Sauer, Joachim )
Clusters of Excellence
- Completed projects
  - EXC 314: Unifying Concepts in Catalysis
    (Spokesperson Drieß, Matthias )

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