Concepedia
Combustion and Flame · 2000 · 94 citations · 51 references
Materials ScienceEngineeringNatural SciencesCombustion ScienceCombustion TheoryNumerical SimulationCombustion ModelingComputational ChemistryThermodynamicsChemistryQuantum ChemistryAluminum SpeciesAb-initio MethodHeterogeneous Combustion
51
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
Gaussian-2 theory for molecular energies of first- and second-row compounds
Larry A. Curtiss, Krishnan Raghavachari, Gary W. Trucks et al. · The Journal of Chemical Physics · 1991 · 3.4K citations
Mechanism and modeling of nitrogen chemistry in combustion
James A. Miller, Craig T. Bowman · Progress in Energy and Combustion Science · 1989 · 3.1K citations
Chemical Engineering, Engineering, Combustion Science +7