Catalysis Today · 2005 · 110 citations · 24 references
Natural SciencesChemistryMaterials SciencePhysical ChemistrySurface ChemistrySurface ScienceCatalytic MaterialsSupported CatalystsSurface CatalysisSurface PhysicsSurface Reaction KineticsSurface ReactionsMetal Oxide CatalystsMetal Oxide NanocatalystsSurface Chemistry Of Metal Sulfides
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
From molecules to solids with the DMol3 approach
B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text
Natural Sciences, Chemistry, Physics +12
<i>Ab initio</i> energy-adjusted pseudopotentials for elements of groups 13–17
Andreas Bergner, Michael Dolg, W. Küchle et al. · Molecular Physics · 1993 · 2.8K citations
Natural Sciences, Chemistry, Physics +13