Theophile Tchakoua
Gastonderzoeker
- Naam
- Dr. T. Tchakoua
- Telefoon
- +31 71 527 2727
- t.tchakoua@lic.leidenuniv.nl
- ORCID iD
- 0000-0001-9364-8700
Gastonderzoeker
- Wiskunde en Natuurwetenschappen
- Leiden Institute of Chemistry
- LIC/Energy & Sustainability
- LIC/ES/Theoretical Chemistry
- Powell A.D., Gerrits N., Tchakoua T., Somers M.F., Busnengo H.F., Meyer J., Kroes G.J. & Doblhoff-Dier K. (2024), Best-of-both-worlds predictive approach to dissociative chemisorption on metals, Journal of Physical Chemistry Letters 15(1): 307-315.
- 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., Jansen T., Nies Y.M. van, Elshout R.F.A. van den, Boxmeer B.A.B. van, Poort S.P., Ackermans M.G., Beltrao G.S., Hildebrand S.A., Beekman S.E.J., Drift T. van der, Kaart S., Santic A., Spuijbroek E.E., Gerrits N., Somers M.F. & Kroes G.J. (2023), Constructing mixed density functionals for describing dissociative chemisorption on metal surfaces: basic principles, The Journal of Physical Chemistry A 127(49): 10481-10498.
- 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 C 123(33): 20420-20433.