Fig. 5
From: A database of synthetic inelastic neutron scattering spectra from molecules and crystals
Examples of simulated INS spectra for organic molecules. The legend shows the SMILES24 representation of each molecule. The x-axis is frequency in units of wavenumber (cm−1) and the y-axis is the calculated normalized scattering intensity. Intensity is normalized such that the strongest peak has a unitary value. The spectra shown here are the total spectra including all contributions from fundamental excitations, combinations, overtones, and phonon wings.
