Concepedia
Tetrahedron · 2002 · 28 citations · 28 references
Natural SciencesChemistryOrganic ChemistryChemical ReactionsCoordination ChemistryHeterocyclic ChemistryOrganic SynthesisReaction PathwaysTransition Metal Complexes[2+2] CycloadditionCycloaddition ReactionsHeterocyclic ReactivityMethane ChemistryOrganic Reaction Chemistry
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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
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text
Natural Sciences, Physics, Condensed Matter Physics +15
<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations
Natural Sciences, Chemistry, Physics +16
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics · 1992 · 9.6K citations
Natural Sciences, Chemistry, Physics +11