Solvation Effects on the Static and Dynamic First-Order Electronic and Vibrational Hyperpolarizabilities of Uracil: A Polarized Continuum Model Investigation

Figure 2

Hyperpolarizability density distributions 𝜌⁽²⁾_𝑥𝑥(𝑟) of uracil in gas (left) and water solution (right). The yellow and blue surfaces (colour figure online) refer to positive and negative 𝜌⁽²⁾_𝑥𝑥(𝑟) densities, respectively, computed at the isosurface of 0.25 a.u. CAM-B3LYP/aug-cc-pVDZ results.