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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Abstract
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 | ||||||
|---|---|---|---|---|---|---|---|
| Date: | 2011 | ||||||
| Institutions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz | ||||||
| Identification Number: |
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| Keywords: | org solvent classification conductor screening model | ||||||
| Dewey Decimal Classification: | 500 Science > 540 Chemistry & allied sciences | ||||||
| Status: | Published | ||||||
| Refereed: | Yes, this version has been refereed | ||||||
| Created at the University of Regensburg: | Yes | ||||||
| Item ID: | 24276 |
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