Concepedia
International Journal of Mass Spectrometry · 2011 · 131 citations · 65 references
Materials ScienceInorganic ChemistryCluster ScienceEngineeringCluster ChemistryChemistryHydrogenC–h Bond Activation
65
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 exchange-energy approximation with correct asymptotic behavior
Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K citations
Localized Excited State, Engineering, Exchange Energies +17
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
Ansgar Schäfer, Christian Huber, Reinhart Ahlrichs · The Journal of Chemical Physics · 1994 · 9K citations
Engineering, Physics, Theoretical Inorganic Chemistry +13
An improved algorithm for reaction path following
Carlos A. Gonzalez, H. Bernhard Schlegel · The Journal of Chemical Physics · 1989 · 6.1K citations
Engineering, Computational Chemistry, Chemistry +19