![Comparison of density functionals for energy and structural differences between the high- [[sup 5]T[sub 2g]: (t[sub 2g])[sup 4](e[sub g])[sup 2]] and low- [[sup 1]A[sub 1g]: (t[sub 2g])[sup 6](e[sub g])[sup 0]] spin states of the hexaquoferrous cation [Fe(H[sub 2]O)[sub 6]][sup 2+]]()
Comparison of density functionals for energy and structural differences between the high- [[sup 5]T[sub 2g]: (t[sub 2g])[sup 4](e[sub g])[sup 2]] and low- [[sup 1]A[sub 1g]: (t[sub 2g])[sup 6](e[sub g])[sup 0]] spin states of the hexaquoferrous cation [Fe(H[sub 2]O)[sub 6]][sup 2+]Fouqueau, Antony; Mer, Sébastien; Casida, Mark E.; Lawson Daku, Latevi Max; Hauser, Andreas; Mineva, Tsonka; Neese, Frank · The Journal of Chemical Physics · 2004