Chem · 2020 · 390 citations · 68 references
Natural SciencesChemistryMaterials ScienceCatalysisCrystal StructurePhysical ChemistryAtomistic ModelingAtomistic SimulationCatalytic MaterialsElectronic StructureMolecular DynamicsMolecular Orbital TheoryActive Site CharacterizationActive Site DynamicsElectronic Structure EffectsSingle-atom CatalysisSingle-atom CatalystsSingle-site CatalystsStructural Dynamics Modeling
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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
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Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations
Single-atom catalysis of CO oxidation using Pt1/FeOx
Botao Qiao, Aiqin Wang, Xiaofeng Yang et al. · Nature Chemistry · 2011 · 7.3K citations
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
Xiao-Feng Yang, Aiqin Wang, Botao Qiao et al. · Accounts of Chemical Research · 2013 · 4.7K citations
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