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. 2024 Nov 5;128(45):11251–11257. doi: 10.1021/acs.jpcb.4c04413

Figure 10.

Figure 10

Ab initio simulated IR spectra for isolated ions in the gas phase. Three different conformers of the cation were considered.13 Peaks drawn with Lorentzian line broadening (fwhm 20 cm–1).