Fig. 7From: Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticlesCorrelations of calculated versus vibrational frequencies for monodentate, outer-sphere, and bidentate, binuclear (A and B) models with the B3LYP/6-311+G(d,p) basis set. Correlation parameters listed in Additional file 1: Table S1Back to article page