The spectra were interpreted with the aid of normal coordinate analysis based on the density functional theory (DFT) using the standard B3LYP/6-31G method and basis set combination and was scaled using multiple scale factors yielding good agreement between observed and calculated wavenumbers. The ...
The spectra were interpreted with the aid of normal coordinate analysis based on the density functional theory (DFT) using the standard B3LYP/6-31G method and basis set combination and was scaled using multiple scale factors yielding good agreement between observed and calculated wavenumbers. The ...