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. Author manuscript; available in PMC: 2011 Feb 1.
Published in final edited form as: J Phys Chem Lett. 2010 Feb 1;1(4):781–786. doi: 10.1021/jz900429z

Figure 3.

Figure 3

Ab initio frequency versus the empirical frequency determined from (a) the two-component and (b) the three-component empirical models. The correlation coefficients (R2) are 0.64 and 0.81 for the data presented in (a) and (b), respectively.