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. Author manuscript; available in PMC: 2011 May 12.
Published in final edited form as: J Am Chem Soc. 2010 May 12;132(18):6498–6506. doi: 10.1021/ja100936w

Figure 2.

Figure 2

Plots of the reduced density gradient versus the electron density mulitplied by the sign of the second Hessian eigenvalue. Results are shown for bicyclo[2,2,2]octene, methane dimer, and water dimer. The data was obtained by evaluating B3LYP/631G* density (a) or promolecular density (b) and gradient values on cuboid grids.