Eddie

Summary

In our study we will be examining the structures and energies of carboxylic acids and their dimers and trimers. We will be utilizing the ICompute lab and the Jaguar software suite in order to calculate the pKa and relative energies of carboxylic acids and their oligomers. The goal will be to construct a model that indicates how pKa should change for dimers and trimers, and to use that information to estimate how the pH of solution should change.  These predictions will be tested by experiment at a later date.