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Description
Energy values for frontier orbitals can be obtained from quantum mechanical calculations and used in different algorithms to determine HSAB parameters such as hardness ( = [ E LUMO E HOMO ]/2) and softness ( = 1/)

22 In a comprehensive study, Jahangiri et al
Ahn A, Chatterjee A, Eccles MR

Usefulness of serum myeloperoxidase in prediction of mortality in patients with severe heart failure

doi:10.1248/bpb.b19-00775 193

Ansari-Moghaddam A