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+.

Source:http://linkedlifedata.com/resource/pubmed/id/15740238

J Chem Phys 2005 Jan 22 122 4 44110

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15740238