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Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2'-bipyridine) Complex
, A. Vargas, , A. Fouqueau and M.E. Casida
ChemPhysChem, 6 (7) (2005), p1393-1410
Keywords: density functional calculations • iron(II) complexes • time-resolved spectroscopy • high-spin->low-spin relaxation • spin crossover
DOI:10.1002/cphc.200400584 | unige:3621 | Abstract | Article HTML | Article PDF
