Room:  W03 0-037

Tel.:  +49 441 798 3892

Postfach 76
Institut für Chemie
Carl von Ossietzky Universität
D-26111 Oldenburg

M.Sc. Niklas Thoben (PhD Student)

Current Research

Description of the statically/strongly correlated 3C-SiC(100) surface

  • closed- and open-shell single-configurational HF and DFT calculations using periodic slab models
  • in-depth analysis of the band structure
  • comparison to cluster model calculations using the multiconfigurational methods CASSCF and NEVPT2


Explaining the regio- and stereoselectivity of Ti-catalyzed hydroaminoalkylation reactions considering the multitude of conformers

  • automated creation of conformer ensembles using CREST and CENSO
  • DFT calculations of the reactants and transition states
  • usage of transition state theory and the Curtin-Hammet principle


Master thesis (2019)

Theoretical Investigation on the Photodesorption of CO from Si(100)

Bachelor thesis (2016)

Hydroxy-Species on TiO2-Rutile(110): Influence on Adsorption Energetics



(Changed: 19 Jan 2024)  | 
Zum Seitananfang scrollen Scroll to the top of the page