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    Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)0] spin states of the hexaquoferrous cation [Fe(H2O)6]2

    Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)0] spin states of the hexaquoferrous cation... by Fouqueau, Antony, Mer, Sébastien, Casida, Mark E, Lawson Daku, Latevi Max, Hauser, Andreas, Mineva, Tsonka, Neese, Frank

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