Research Article
On the Relevance of Considering the Intermolecular Interactions on the Prediction of the Vibrational Spectra of Isopropylamine
Table 2
CP-corrected vibrational frequency shifts predicted with B97D functional for the NH2 and –H molecular groups. Cluster nomenclature according to Figure 1.
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= stretching, = deformation, t = twisting, = wagging, = torsion, = in-plane deformation and = out-of-plane deformation. |