Project Details

Professorin Dr. Beate Paulus

Address Freie Universität Berlin
Institut für Chemie und Biochemie
Abteilung Physikalische und Theoretische Chemie
Arnimallee 22
14195 Berlin

Projects

As Applicant
- Completed projects
  - Development of a wavefunction-based ab-initio method for metals applying the method of increments (Priority Programmes)
  - Deviations from Ideal Structures in Metallic Elements and Simple Intermetallics: Combined Experimental and Theoretical Studies of Electron distributions (Priority Programmes)
  - Quantum-Chemical Investigation of the Metal-Insulator Transition in realistic Low-Dimensional Systems (Research Grants)
  - Synthesis, theoretical investigation and properties of nanocomposite thermoelectric materials (Priority Programmes)
  - Graphene nano-flakes weakly coupled to the substrate: atomic structure, electronic states and manipulation (Priority Programmes)
  - Characterization of Novel Polyhalogen Monoanions (Research Grants)
  - High-Pressure Behavior of Kesterite-Type Photovoltaic Materials (Research Grants)
  - Experimental and theoretical studies of electrochemical switching processes in crown ether/ammonium rotaxanes (Research Grants)
As Participating Researcher
- Completed projects
  - GRK 1582: Fluorine as Key Element: Discovering Innovative Synthetic Concepts to Generate Novel Molecules with Unique Properties (Research Training Groups)
As Project Head
- Current projects
  - Theoretical Investigation of Fluorine-Specific Interactions in Condensed Metal Fluorides and Polyfluorine Anions (Collaborative Research Centres)
  - Integrated Research Training Network (Collaborative Research Centres)
- Completed projects
  - First-principle investigations of growth and dissolution of nanocrystals in aqueous environments: The influence of impurities (Collaborative Research Centres)
  - Ab initio calculations of electronic effects in multivalent interactions (Collaborative Research Centres)
  - Multivalency in Chemistry and Biochemistry (Collaborative Research Centres)
As Participating Person
- Completed projects
  - Unravelling the Secret of the Organic Chemist's Rule for the Fluxes of Electrons in Electrocyclic Reactions by Quantum Dynamics Simulations (Research Grants)

Servicenavigation

Hauptnavigation

Professorin Dr. Beate Paulus

Additional Information

Servicenavigation

Hauptnavigation

Professorin Dr. Beate Paulus

Additional Information

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