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. Author manuscript; available in PMC: 2013 Oct 2.
Published in final edited form as: Biochemistry. 2012 Sep 19;51(39):7733–7739. doi: 10.1021/bi3009054

Table 2.

Calculated proton affinities (B3LYP/6–311++G(2d,2p) for substituted indoles (kcal mol−1).a

compound N1 C3 C4
indole 206.8 220.1 211.8
4-F-indole 202.0 215.9 197.5
6-F-indole 202.7 216.0 205.6
a

Data taken from reference 12.