This folder contains experimental and theory results.

The experimental results is the SERS spectrum of BPT-CN. The SERS intensity (in counts) is in file 'Experiment_Y-axis_SERS_CCDcounts' and should be plotted against the wavenumbers in cm^-1 in the file 'Experiment_X-axis_wavenumbers_cm-1.

The theory results are the predicted SERS spectra by DFT simulations for BPT-12C14N, BPT-13C14N and BPT-12C15N. The spectra in files 'DFT_x_SERS' (where x corresponds to the afore-mentioned compounds) should be plotted against the wavenumbers in the corresponding files 'DFT_x_X-axis'.