articleTop 10% cited
Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
Inorganica Chimica Acta · 2007 · Vol. 361(4) · pp. 965–972
Metal complexes synthesis and propertiesX-ray Spectroscopy and Fluorescence AnalysisLanthanide and Transition Metal ComplexesChemistryBasis setDensity functional theorySolvationQuadrupoleSpectral lineK-edgeDipoleAtomic physicsScalar (mathematics)
Citations
219
FWCI
3.00
field-weighted impact
References
49
Percentile
91%
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References
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Prediction and interpretation of the 57Fe isomer shift in Mössbauer spectra by density functional theory
Inorganica Chimica Acta · 2002 · 594 citations
Revision of the Douglas-Kroll transformation
Physical review. A, General physics · 1989 · 926 citations
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
Physical review. B, Condensed matter · 1986 · 18,617 citations
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
The Journal of Chemical Physics · 1994 · 9,067 citations
Density-functional exchange-energy approximation with correct asymptotic behavior
Physical review. A, General physics · 1988 · 53,059 citations
Relativistic regular two-component Hamiltonians
The Journal of Chemical Physics · 1993 · 4,302 citations
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