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. 2014 Dec 17;119(2):383–394. doi: 10.1021/jp511040p

Figure 8.

Figure 8

Optimized structures of 1:1 complexes showing hydrogen bonds in [H6L(F)]5+ (A), in [H6L(Cl)]5+ (B), in [H6L(Br)]5+ (C), and [H6L(I)]5+ (D) in the gas phase at the M06-2X/6-311G(d,p) level.