Figure 5.

Vibrational density of states computed as the Fourier transform of the velocity autocorrelation function, evaluated in the isolated species normal modes coordinates. Molecular dynamics simulations were done with the PBE functional and the TIP4P model for water. NO1 stretching, black line; O1NO3 bending, pink line; O3O4 stretching, green line; NO3 stretching, red line; OONO torsion, blue line; NO3O4 bending, dark green line. Adapted with permission from Gonzalez Lebrero et al. (2005). Copyright 2005 American Chemical Society.