Concepedia
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 37 citations · 24 references
Natural SciencesSpectroscopyOrganic ChemistryChemistrySpectroscopic PropertyDicyclopropyl MethyleneSpectra-structure CorrelationSpectroscopic Method
24
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
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 · 98.6K citations
Electron Density, Gradient Expansions, Engineering +14
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1986 · 4.2K citations
Engineering, Computational Chemistry, Chemistry +20
Frontier Orbitals and Organic Chemical Reactions
Journal of Molecular Structure · 1979 · 3.4K citations
Natural Sciences, Organic Chemistry, Reactivity (Chemistry) +4
Organic Structural Analysis
George Schwabtzman · Journal of AOAC INTERNATIONAL · 1977 · 242 citations
Engineering, Chemical Analysis, Biochemistry +13