Fig. 7. ANN model predicted (ANN, blue bars) and computed (data, gray bars) spin-state splittings, ΔEH–L, with the B3LYP functional (aHF = 0.20) in kcal mol–1 on M(ii)(CO)6 complexes, where M = Cr, Mn, Fe, Co, or Ni. The error bars represent an estimated ±1 standard deviation credible interval from the mean prediction, and brown dashed lines indicate a ±5 kcal mol–1 range around zero ΔEH–L, corresponding to near-degenerate spin states.
