Organic Chemistry International / 2013 / Article / Fig 1

Research Article

Accuracy and Applicability of the New Exchange Correlation Functionals for Reproduction of the Infrared Spectra of Butyl Acrylate and Butyl Methacrylate Molecules

Figure 1

The difference between the scaled and unscaled frequencies calculated at O3LYP/6-31g(d,p) and O3LYP/6-311+g(df,p) level of theory for butyl acrylate molecule. The scaling factors used are 0.9615 and 0.9678.
834520.fig.001

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