M.Sc. Gabriele Tomaschun (PhD Student)
Influence of surface structures on the catalytic properties of Pt nanocrystals
- reaction mechanism of Pt-catalysed reactions, e.g.
- hydrogenation of crotonaldehyde and 2-furanaldehyde
- condensation of methanol and ethanole
- periodic HF/DFT-calculations and post-HF-calculations on density-embedded clusters
- Transition State Theory
- G. Tomaschun, W. Dononelli, Y. Li, M. Bäumer, T. Klüner, und L. V. Moskaleva, Methanol oxidation on the Au(3 1 0) surface: A theoretical study, J. Catal. 2018, 364, 216-227.
Quantum chemical investigations on adsorption properties and catalytic activity of nanoporous gold surfaces
Quantum mechanical calculations of structures and properties of bis-(disulfato)-aurate anion [Au(S2O7)2]- and of bis-(trisulfato)-aurate anion [Au(S3O10)2]-