A theoretical study of solvation energies of FCH2COO−, FCH2COOH,and F2CHCOO− |
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Authors: | Duli C. Jain Denyse De Gale Anne-Marie Sapse |
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Abstract: | A continuum and a discrete-continuum models are used to determine the solvation energies of FCH2COO?, FCH2COOH, and F2CHCOO?. For the anions, the continuum model provides results closer to the experiment, while for the acid, the addition of one water molecule improves the continuum-only energy. |
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