A theoretical study of solvation energies of FCH2COO−, FCH2COOH, and F2CHCOO−
- 1 December 1989
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 10 (8) , 1031-1037
- https://doi.org/10.1002/jcc.540100807
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.Keywords
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