Egidius W F Smeets (E W F Smeets)

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 7

Top Topics

Machine Learning

Staphylococcus Aureus

Density Functional Theory

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

The journal of physical chemistry. C, Nanomaterials and interfaces

This page only lists publications with an associated author ORCID identifier.

Publications

Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation (2022)
Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation 19 (1) (2022)
Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation 19 (1) (2022)
Nick Gerrits, Egidius W F Smeets, Stefan Vuckovic, Andrew D Powell, Katharina Doblhoff-Dier, Geert-Jan Kroes
Correction to "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". The journal of physical chemistry letters 13 (45) (2022)
Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation 19 (1) (2022)
Egidius W F Smeets, Geert-Jan Kroes
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). The journal of physical chemistry. C, Nanomaterials and interfaces 125 (17) (2021)
Nick Gerrits, Egidius W F Smeets, Stefan Vuckovic, Andrew D Powell, Katharina Doblhoff-Dier, Geert-Jan Kroes
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. The journal of physical chemistry letters 11 (24) (2020)