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Partition Coefficients of Itaconates in Aqueous-Micellar Solutions: Measurements and Predictions with COSMO-RS

✍ Scribed by Schwarze, Michael; Volovych, Irina; Wille, Susanne; Mokrushina, Luidmila; Arlt, Wolfgang; Schomäcker, Reinhard


Book ID
120572669
Publisher
American Chemical Society
Year
2011
Tongue
English
Weight
994 KB
Volume
51
Category
Article
ISSN
0888-5885

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## Abstract The COSMO‐RS method, a combination of the quantum chemical dielectric continuum solvation model COSMO with a statistical thermodynamics treatment for realistic solvation simulations, has been used for the prediction of base pK~a~ constants. For a variety of 43 organic bases the directly