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. Author manuscript; available in PMC: 2016 Dec 2.
Published in final edited form as: J Am Chem Soc. 2015 Nov 19;137(47):14959–14967. doi: 10.1021/jacs.5b08767

Figure 8.

Figure 8

(Top) Structures of the truncated model compounds 5 and 6 used for computational studies. (Bottom) MESP maps showing effects of substituent on ESP at a 0.002 Å isoelectric surface, calculated using B3LYP/6-31+g(d) in Spartan ’10.