Journal of Materials Chemistry A · 2016 · 234 citations · 54 references
Natural SciencesChemical EngineeringChemistryComputational ChemistryPhysical ChemistrySurface ScienceAb Initio MethodsAdsorption At InterfacesAdsorption ProcessesAdsorptive SeparationsDensity Functional TheorySurface AdsorptionAdsorption On Carbon SurfacesCompetitive AdsorptionCompetitive Adsorption KineticsGrapheneGraphene OxideGraphene Surface ChemistryGraphene-based MaterialsReduced Graphene Oxide
The individual and competitive adsorption of benzene, aniline and naphthylamine on reduced graphene oxides were studied by batch experiments and theoretical density functional theory (DFT).
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13