Prediction of acid pKa values in the solvent acetone based on COSMO‐RS
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DOI: 10.1002/jcc.26864
Abstract: In this contribution we extent the use of the conductor‐like screening model for realistic solvation (COSMO‐RS) to the prediction of pKa values in acetone, a commonly used dipolar aprotic solvent. For this, we calculated the… read more here.
Keywords: prediction acid; cosmo prediction; pka; pka values ... See more keywords