Concepedia
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2003 · 37 citations · 24 references
Inorganic ChemistryVibrational SpectraEngineeringPhysicsNatural SciencesSpectroscopyCoordination ComplexPhysical ChemistryTheoretical StudiesMolecular Complex1-Meu AnionChemistryQuantum ChemistrySpectroscopic PropertySpectra-structure Correlation
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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
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.1K citations
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18
A. D. McLean, G. S. Chandler · The Journal of Chemical Physics · 1980 · 9.5K citations
Molecular Calculations, Molecular Computations, Physics +15
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.4K citations
Physics, Modified Basis Sets, Natural Sciences +13