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Classification of Organic Solvents Revisited by Using the COSMO-RS Approach

Durand, Morgan, Molinier, Valérie, Kunz, Werner and Aubry, Jean-Marie (2011) Classification of Organic Solvents Revisited by Using the COSMO-RS Approach. Chemistry--A European Journal 17 (18), pp. 5155-5164.

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A new approach for the classification of solvents is proposed, based solely on the solvent mol. structure and relying on the conductor-like screening model for real solvents (COSMO-RS), in which solvents are considered in their liq. state. This approach provides an a priori classification without requiring the knowledge of any exptl. data. The theor. descriptors of the proposed classification ...


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Item type:Article
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz
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Keywords:org solvent classification conductor screening model
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:24276
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