4.7 Article

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 iron(II) coordination compounds.: II.: More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+ -: art. no. 044110

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