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. Author manuscript; available in PMC: 2014 Aug 8.
Published in final edited form as: J Phys Chem B. 2013 Jul 30;117(31):9142–9160. doi: 10.1021/jp402860e

Figure 4.

Figure 4

Methyl Acetate-Water dimer conformations for the (a) Cis and (b) Trans (methyl orientation with respect to carbonyl oxygen) methyl acetate conformations used to evaluate pair specific interaction energies between methyl acetate with water.