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. Author manuscript; available in PMC: 2017 Jul 1.
Published in final edited form as: Theor Chem Acc. 2016 Jun 17;135(7):166. doi: 10.1007/s00214-016-1923-8

Fig. 7.

Fig. 7

Aspartic acid double proton transfer reaction barriers calculated with s = 3 and different values of the LREC cutoff. Between Rc = 20 and 50 Å, the total change in the barrier height is less than ∼ 0.1 kcal/mol, which is within chemical accuracy