Egidius W F Smeets

4PUBLICATIONS
4CO-AUTHORS
Catalysis and mechanisms of reactionsComputational chemistryTheoretical quantum chemistry
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Publications (4)

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

T Tchakoua, N Gerrits, E W F Smeets

|Jun 04, 2021
Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H2 + Cu(111), D2 + Ag(111), H2 + Au(111), and D2 + Pt(111).

Egidius W F Smeets, Geert-Jan Kroes

|Dec 09, 2020
Density Functional Theory for Molecule-Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not.

Nick Gerrits, Egidius W F Smeets, Stefan Vuckovic

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Frequent Collaborators

4 joint publications

Geert-Jan Kroes

3 joint publications

Nick Gerrits

2 joint publications

Katharina Doblhoff-Dier

1 joint publications

T Tchakoua