Chemistry Reference
In-Depth Information
FIGURE 4.25B
The 3D structure of Cr complex with three ligands.
E
LUMO
= −0.38 E
HOMO
= −5.89 E
LUMO
− E
HOMO
= 5.51 (E
LUMO
− E
HOMO
)/2 = 2.76
Heat of formation: −1091.1
COSMO area: 439.2
COSMO volume: 520.3
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89:399-404.
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