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. Author manuscript; available in PMC: 2014 Oct 24.
Published in final edited form as: J Phys Chem B. 2013 May 30;117(42):10.1021/jp4020146. doi: 10.1021/jp4020146

Figure 3.

Figure 3

The simplest models used to study the proton transfer step of the phosphate monoester hydrolysis (PO3 + H2O (or 2H2O)). (LEFT) the near transition state configuration for the mechanisms involving one water molecule. (RIGHT) and two water molecules.