 GRIFFITH
 J. S. Griffith, "The Theory of Transition-Metal Ions", Cambridge University Press, 1961.


 CCDC
 The Cambridge Structural Database: a quarter of a million crystal structures and rising.
 F. H. Allen, Acta Cryst. B58, 380-388, (2002)

 B3LYP
 6-31G(d) basis set using the B3LYP Density Functional


 DMOL
 Density Functional Theory Electronic Structure Program (DMOL), B. Delley, J. Chem. Phys. 113, 7756 (2000).

 
 WPCT05
 P. Winget, T. Clark, J. Mol. Model.  11, 439-456 (2005). 


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 PW91D
 Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and 
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 PDB
 Protein Data Bank, Research Collaboratory for Structural Bioinformatics, 
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 HF631G
 Calculated using the HF 6-31G(d) basis set in Gaussian 03: M.J. Frisch, et. al., 
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 GS
 Presumed ground state.


 METALS
 Normal Ground State of Metal Complex.


 B88_LYP
 DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, 
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 EF72
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