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. 2014 Nov 18;119(3):1184–1191. doi: 10.1021/jp506796r

Table 5. Computed Energies (kcal/mol) for the Subtractive Method.

  monoanion donor monoanion acceptor dianion donor dianion acceptor
SP –25.4 –18.2a –20.9 –16.8a
B –21.2 –16.2a –18.8 –14.8a
AB –17.8 –14.8a –15.7 –13.5a
–TS –19.5 –9.0a –12.1 –13.0a
OPT –14.5 0.0 –12.0 0.0
a

Inappropriate reference state that is not open.