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. Author manuscript; available in PMC: 2010 Oct 7.
Published in final edited form as: J Am Chem Soc. 2009 Oct 7;131(39):13963–13971. doi: 10.1021/ja905081x

Figure 5.

Figure 5

Variations of the computed KIEs using the Bigeleishen equation with harmonic frequencies (green) along with the inclusion of anharmonicity (blue) and tunneling (red) for the reactions of α-methoxystyrene with various substituted acetic acids (Y-AcOH). The experimental data are depicted in black.