Vibrational Study and Force Field of the Citric Acid Dimer Based on the SQM Methodology
Figure 3
Comparison between (a) the calculated Raman spectrum from B3LYP/6-31G* level for the monomer, (b) the calculated Raman spectrum obtained from B3LYP/6-31G* level using average frequencies and intensities for both monomer and dimer species and (c) the experimental Raman spectrum in solid state.