Applied Surface Science · 2019 · 42 citations · 53 references
Natural SciencesMaterials SciencePhysicsComputational ChemistryMaterials ChemistrySurface ScienceAb Initio MethodsComputational Quantum ChemistryDensity Functional TheoryGraphene NanomaterialsRare-earth-doped MaterialsSurface PhysicsAdsorbent CapacityAdsorbent CharacterizationAdsorbent InteractionsGrapheneGraphene DopingGraphene MaterialsGraphene Oxide
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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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Bonded-atom fragments for describing molecular charge densities
F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations
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