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+. [electronic resource]

By: Contributor(s): Producer: 20071102Description: 9473-86 p. digitalISSN:
  • 0021-9606
Online resources: In: The Journal of chemical physics vol. 120
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Publication Type: Journal Article

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