Journal of Chemistry / 2013 / Article / Fig 4

Research Article

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.

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