Theoretical Chemistry - Klüner

M.Sc. Luca Gerhards
(PhD Student)

Current Research

Theoretical studies on photocatalytic sulfoxidation

  • Modelling of a titanium dioxide-rutile(110) surface
  • Coadsorption of sulfur dioxide and methane
  • Application of ab initio quantum chemical methods to calculate high-dimensional potential energy surfaces for ground and excited states (CASSCF, CASPT2/NEVPT2)

See also Graduiertenkolleg 2226 - Chemical Bond Activation

Master thesis (2017)

Title:
Ab initio cluster calculations on the adsorption of SO2
on a TiO2-Rutil(110) surface

Bachelor thesis (2015)

Title:
Determination of the temperature-dependent foaming and corrosion behaviours of aqueous solution of amines (Working group Brehm)

 

 

 

Kontakt

Institut für Chemie

Carl von Ossietzky Universität Oldenburg
Postfach 2503
26111 Oldenburg

Office: W03 0-037 (» Adresse und Lageplan) Phone: 3892