Electronic Structure, Spectroscopic (IR, Raman, UV-Vis, NMR), Optoelectronic, and NLO Properties Investigations of Rubescin E (C31H36O7) Molecule in Gas Phase and Chloroform Solution Using Ab Initio and DFT Methods
Table 4
Theoretical absorption wavelength (λ), excitation energy (E), and oscillator strengths of Rubescin E at the B3PW91 and B3LYP levels in gas with the 6-311++G(d,p) basis set.