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Gabriele Tomaschun, PhD

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Research

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
     

Publications:

Master thesis (2015)

Title:
Quantum chemical investigations on adsorption properties and catalytic activity of nanoporous gold surfaces
 

Bachelor thesis (2013)

Title:
Quantum mechanical calculations of structures and properties of bis-(disulfato)-aurate anion [Au(S2O7)2]- and of bis-(trisulfato)-aurate anion [Au(S3O10)2]-

 

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