Concepedia
Journal of Catalysis · 2003 · 73 citations · 18 references
Natural SciencesChemical EngineeringChemistryPhysical ChemistrySurface ScienceTheoretical ChemistryAb Initio MethodsChemical OxidationDensity Functional TheoryMolecular Orbital TheoryOxidation-reduction ReactionsSurface Oxidation
18
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations
Natural Sciences, Chemistry, Physics +17
Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations
Energy-adjusted <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> pseudopotentials for the first row transition elements
Michael Dolg, Ulrich Wedig, Hermann Stoll · The Journal of Chemical Physics · 1987 · 3.5K citations
Natural Sciences, Chemistry, Computational Chemistry +16
Generation of active oxygen species on solid surfaces. Opportunity for novel oxidation technologies over zeolites
G.I. Panov, Mikhail A. Rodkin · Catalysis Today · 1998 · 483 citations
Natural Sciences, Chemistry, Materials Science +16
Oxidation of benzene to phenol by nitrous oxide over Fe-ZSM-5 zeolites
G.I. Panov, G A Sheveleva, A. S. Kharitonov et al. · Applied Catalysis A General · 1992 · 268 citations
Natural Sciences, Chemical Engineering, Chemistry +13