Theophile Tchakoua

4PUBLICATIONS
9CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsRadiation and matterCatalysis and mechanisms of reactions
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Publications (4)

|Jan 03, 2024
Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals.

Andrew D Powell, Nick Gerrits, Theophile Tchakoua

|Dec 05, 2023
Constructing Mixed Density Functionals for Describing Dissociative Chemisorption on Metal Surfaces: Basic Principles.

Théophile Tchakoua, Tim Jansen, Youri van Nies

|Mar 31, 2023
Simulating Highly Activated Sticking of H2 on Al(110): Quantum versus Quasi-Classical Dynamics.

Theophile Tchakoua, Andrew D Powell, Nick Gerrits

|Dec 19, 2022
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces.

T Tchakoua, N Gerrits, E W F Smeets

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