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

Durand, Morgan and Molinier, Valérie and 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:
ValueType
10.1002/chem.201001743DOI
CODEN:CEUJEDOther
Keywords:org solvent classification conductor screening model
Subjects:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Owner: Georg Berger
Deposited On:09 May 2012 11:16
Last Modified:09 May 2012 11:16
Item ID:24276
Owner Only: item control page
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