Concepedia
Journal of Molecular Modeling · 2013 · 53 citations · 66 references
Open access
Transition Metal ChalcogenidesChemical EngineeringTheoretical StudyEngineeringRadical (Chemistry)Organic ChemistryAntioxidant PropertiesHydrogenChemistryElectron Transfer Mechanism
66
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
Density-functional thermochemistry.
Axel D. Becke · 1996 · 2.1K citations
Predicting the Activity of Phenolic Antioxidants: Theoretical Method, Analysis of Substituent Effects, and Application to Major Families of Antioxidants
James S. Wright, Erin R. Johnson, Gino A. DiLabio · Journal of the American Chemical Society · 2001 · 1.6K citations
The molecular basis of working mechanism of natural polyphenolic antioxidants
Monica Leopoldini, Nino Russo, Marirosa Toscano · Food Chemistry · 2010 · 1.2K citations
Biochemistry, Natural Polyphenolic Antioxidants, Medicine +7