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. Author manuscript; available in PMC: 2012 Mar 8.
Published in final edited form as: J Chem Theory Comput. 2011 Mar 8;7(3):658–668. doi: 10.1021/ct100651f

Table 8.

Comparison of Error Distributions of B3LYP-MM (red), B3LYP-D3 (blue) and M06-2X (black). All results are without explicit counterpoise corrections. All plots show normalized kernel density estimates (kdes) multiplied with the number of datapoints. The kdes were computed with the density() function in R, with gaussian kernels and default bandwidths,

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graphic file with name nihms273906t1b.jpg