On the Relevance of Considering the Intermolecular Interactions on the Prediction of the Vibrational Spectra of Isopropylamine
Figure 4
Comparison of the CP-uncorrected and CP-corrected CEHB values predicted by the B97D calculations for the O3d (which assembles the most stable geometry predicted for trimeric water clusters [25, 26]), O3a, and O4a iPram clusters. The overall O3d optimized geometry is also depicted.
