Figure 6.
QCC-NCA simulated NRVS spectra of conformers A – H of complex [Fe(OEP)(NO)] (1) (cf. Figure 1), based on the B3LYP/LanL2DZ calculations.
QCC-NCA simulated NRVS spectra of conformers A – H of complex [Fe(OEP)(NO)] (1) (cf. Figure 1), based on the B3LYP/LanL2DZ calculations.