RSC Advances · 2017 · 11 citations · 49 references
Natural SciencesChemical EngineeringMaterials ScienceComputational ChemistryPhysical ChemistryTheoretical ChemistryAb Initio MethodsAdsorption At InterfacesAdsorption ProcessesSolid-gas InterfacesSurface AdsorptionSurface PhysicsAdsorption At Gas-solid InterfacesAdsorption EquilibriumAdsorption From Gas PhaseChemisorption AnalysisGas AdsorptionSurface Adsorption Simulation
The hydrogen adsorption is most favorable at the hollow site of Co–MIL-88A.
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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
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17