Advances in Chemistry / 2014 / Article / Fig 4

Research Article

Quantum Calculation for Musk Molecules Infrared Spectra towards the Understanding of Odor

Figure 4

Ranges for important vibrational modes collected for compounds 1–23 through experimental data versus GGA/PW91 results versus B3LYP results. Vibrational modes come in accordance to bonding atoms and bond order: in green, C–H modes; in dark green, C=C modes; in light pink, C–O; in burgundy, C=O; and in blue, N=O modes.
398948.fig.004