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. 2007 Dec 18;104(52):20731–20736. doi: 10.1073/pnas.0709489104

Fig. 6.

Fig. 6.

Optimized geometries of 3b with CHELPG (charges from electrostatic potentials using a grid-based method) charges (A), edge-to-edge dimer (B), and stacked dimer with B3LYP/6-31G* (C).