Theophile Tchakoua
Promovendus/ gast
- Naam
- Dr. T. Tchakoua
- Telefoon
- +31 71 527 2727
- t.tchakoua@lic.leidenuniv.nl
- ORCID iD
- 0000-0001-9364-8700
Promovendus/ gast
- Wiskunde en Natuurwetenschappen
- Leiden Institute of Chemistry
- LIC/Energy & Sustainability
- LIC/ES/Theoretical Chemistry
- Tchakoua T. (4 juli 2023), Highly accurate simulations and benchmarking of molecule-surface reactions (Dissertatie. Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University). Promotor(en) en copromotor(en): Kroes G.J., Somers M.F.
- Tchakoua T., Gerrits N., Smeets E.W.F. & Kroes G.J. (2023), SBH17: benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces, Journal of Chemical Theory and Computation 19(1): 245-270.
- Tchakoua T., Powell A.D., Gerrits N., Somers M.F., Doblhoff-Dier K., Busnengo H.F. & Kroes G.J. (2023), Simulating highly activated sticking of H2 on Al(110): quantum versus quasi-classical dynamics, The Journal of Physical Chemistry Part C 127(11): 5395-5407.
- Tchakoua T., Smeets E.W.F., Somers M.F. & Kroes G.J. (2019), Toward a Specific Reaction Parameter Density Functional for H2 + Ni(111): Comparison of Theory with Molecular Beam Sticking Experiments, The Journal of Physical Chemistry Part C 123(33): 20420-20433.