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Constructing Mixed Density Functionals for Describing Dissociative Chemisorption on Metal Surfaces: Basic Principles.
Tchakoua T, Jansen T, van Nies Y, van den Elshout RFA, van Boxmeer BAB, Poort SP, Ackermans MG, Beltrão GS, Hildebrand SA, Beekman SEJ, van der Drift T, Kaart S, Šantić A, Spuijbroek EE, Gerrits N, Somers MF, Kroes GJ. Tchakoua T, et al. Among authors: somers mf. J Phys Chem A. 2023 Dec 14;127(49):10481-10498. doi: 10.1021/acs.jpca.3c01932. Epub 2023 Dec 5. J Phys Chem A. 2023. PMID: 38051300 Free PMC article.
An improved static corrugation model.
Spiering P, Wijzenbroek M, Somers MF. Spiering P, et al. Among authors: somers mf. J Chem Phys. 2018 Dec 21;149(23):234702. doi: 10.1063/1.5058271. J Chem Phys. 2018. PMID: 30579298
36 results