-
Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2'-bipyridine) Complex
L.M. Lawson Daku, A. Vargas, A. Hauser, 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
|