Concepedia

Azide bridged dicopper(II), dicobalt(II) complexes and a rare double μ-chloride bridged ferromagnetic dicobalt(II) complex of a pyrazolyl-pyrimidine ligand: Synthesis, crystal structures, magnetic and DFT studies

Atanu Jana, Saugata Konar, Kinsuk Das, Sangita Ray, James A. Golen, Arnold L. Rheingold, Luca M. Carrella, Eva Rentschler, Tapan Kumar Mondal, S.K. Kar

Polyhedron · 2012 · 30 citations · 33 references

Concepts

Inorganic ChemistryFerromagnetic DicobaltEngineeringCoordination ComplexMolecular ComplexChemistryDft StudiesInorganic SynthesisBiomolecular EngineeringPyrazolyl-pyrimidine LigandInorganic Compound

References

33

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

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 86.8K citations · Full text

Shelx System, Engineering, Molecular Biology +14

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.3K citations

Electron Density, Innermost Core Electron, Outer Core Orbitals +12

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.5K citations

Transition Metal Chalcogenides, Electron Density, Electronic Excited State +15