Solvation Effects on the Static and Dynamic First-Order Electronic and Vibrational Hyperpolarizabilities of Uracil: A Polarized Continuum Model Investigation
Figure 6
IR and Raman spectra of uracil in gas and water solution in the 1000–1900 cm−1 wavenumbers range. Lorentz line shapes with a full width at half maximum of 10 cm−1 were used. CAM-B3LYP/aug-cc-pVDZ results.