Concepedia

Synthesis, spectroscopic, thermal and DFT calculations of 2-(3-amino-2-hydrazono-4-oxothiazolidin-5-yl) acetic acid binuclear metal complexes

Walid M. I. Hassan, Mohamed A. Badawy, Gehad G. Mohamed, H. Moustafa, Salwa Elramly

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 35 citations · 35 references

Concepts

Inorganic CompoundInorganic ChemistryChemical EngineeringEngineeringCoordination ComplexMolecular ComplexMetal ComplexesChemistryDft CalculationsInorganic SynthesisAcetic Acid

References

35

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

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.2K citations

Advanced inorganic chemistry

Choice Reviews Online · 1999 · 14.3K citations

Inorganic Chemistry, Chemical Engineering, Engineering +8