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Institution

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Karlsruher Institut für Technologie (KIT)
Institut für Physikalische Chemie
Abteilung für Theoretische Chemie

Address Fritz-Haber-Weg 2
76131 Karlsruhe
Deutschland

GERiT This institution in GERiT

76131 Karlsruhe

Projects

Priority Programmes
- Completed projects
Research Grants
- Current projects
  - Embedded wavefunctions for 2D and 3D periodic molecular systems
    (Applicant Höfener, Sebastian )
- Completed projects
  - Quantenchemische ab initio-Untersuchungen von Reaktionen aromatischer Kohlenwasserstoffe
    (Applicant Klopper, Willem M. )
  - Understanding excited-state properties of molecules in solution using embedded, accurate ab-initio wave functions
    (Applicant Höfener, Sebastian )
Collaborative Research Centres
- Current projects
  - Quantum-Chemical Computations on Rare-Earth Compounds
    (Project Heads Fink, Karin ; Klopper, Willem M. ; Weigend, Florian )
  - Theoretical Modeling of Small Clusters of N-heteropolycycles
    (Project Head Höfener, Sebastian )
- Completed projects
  - Ab-Initio Calculation of Properties and Reactions in Ground and Excited States
    (Project Head Bihlmeier, Angela )
  - Ab-Initio Computation of NMR Parameters for the Study of Selected Polymer Structural Fragments
    (Project Heads Klopper, Willem M. ; Weigend, Florian )
  - Ab-Initio-Untersuchungen von Auf- und Abbaureaktionen graphitanaloger Kohlenwasserstoffe
    (Project Head Klopper, Willem M. )
CRC/Transregios
- Completed projects
  - Ab initio computation of optical properties of oligonuclear transition metal and lanthanide compounds
    (Project Head Klopper, Willem M. )
WBP Fellowship
- Current projects
  - Relativistic Quantum Chemistry in Finite Magnetic Fields
    (Applicant Pausch, Ansgar )
Research Training Groups
- Current projects
  - GRK 2450: Tailored Scale-Bridging Approaches to Computational Nanoscience
    (Spokesperson Elstner, Marcus )
Clusters of Excellence
- Completed projects
  - EXC 172: DFG-Center for Functional Nanostructures (CFN)
    (Spokesperson Wegener, Martin )

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