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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

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Description scientific article published on 09 December 2020
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author: Geert-Jan Kroes  Nick Gerrits  Katharina Doblhoff-Dier  Egidius W F Smeets 

Publication date December 9, 2020
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