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Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation2024 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access
Yuxiang Cai, Roel Michiels, Federica De Luca, Erik Cornelis Neyts, Xin Cheng Tu, Annemie Bogaerts, +1 more
9citations -
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Théophile Tchakoua, Nick Gerrits, Egidius W. F. Smeets, Geert–Jan Kroes
39citations -
Assessing density functionals for describing methane dissociative chemisorption on Pt(110)-(2×1) surface2021 Chinese Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Fenfei Wei, Egidius W. F. Smeets, Johannes Voss, Geert–Jan Kroes, Sen Lin, Hua Guo
6citations
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