Chem · 2021 · 159 citations · 58 references
Natural SciencesChemistryMaterials ScienceInorganic ChemistryNanomaterialsPhysical ChemistryCatalyst CharacterizationCatalyst DesignCatalytic MaterialsCluster ChemistryNanoparticle SynthesisSupported CatalystsAmmonia SynthesisAtomic SizeCatalytic NanomaterialsNanocatalyst DesignNanoparticle CatalysisNanoparticle CatalystsNanoparticlesNanostructured Catalysts
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First principles phonon calculations in materials science
Atsushi Togo, Isao Tanaka · Scripta Materialia · 2015 · 11.3K citations · Full text