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Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H<sub>2</sub> + Cu(111), D<sub>2</sub> + Ag(111), H<sub>2</sub> + Au(111), and D<sub>2</sub> + Pt(111)

Egidius W. F. Smeets, Geert–Jan Kroes

2021The Journal of Physical Chemistry C22 citationsDOIOpen Access PDF

Abstract

) interacting with late transition metals.

Topics & Concepts

van der Waals forceMetal-organic frameworkChemistryMetalYield (engineering)Materials scienceMoleculePhysical chemistryThermodynamicsPhysicsOrganic chemistryAdsorptionAdvanced Chemical Physics StudiesMachine Learning in Materials ScienceCopper-based nanomaterials and applications
Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H<sub>2</sub> + Cu(111), D<sub>2</sub> + Ag(111), H<sub>2</sub> + Au(111), and D<sub>2</sub> + Pt(111) | Litcius