Metal

ΔE (kcal∙mol−1)

ΔEZPE (kcal∙mol−1)

ΔEtot (kcal∙mol−1)

ΔH (kcal∙mol−1)

ΔG (kcal∙mol−1)

V3+

467.19

465.74

465.10

467.19

436.90

Cr3+

481.77

480.27

479.68

480.27

468.79

Mn3+

486.36

485.04

484.31

484.90

474.08

Fe3+

476.58

475.23

474.51

475.11

464.14

Co3+

497.20

537.56

495.24

495.83

485.76