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Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure

✍ Scribed by Mitchell, B.E.; Jurs, P.C.

Book ID
125896193
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
149 KB
Volume
38
Category
Article
ISSN
0095-2338

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πŸ“œ SIMILAR VOLUMES

Prediction of infinite dilution activity
Prediction of infinite dilution activity coefficients of chlorinated organic compounds in aqueous solution from quantum-chemical descriptors
✍ Eduardo J. Delgado; Joel B. Alderete πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 98 KB

## Abstract A quantitative structure–property relationship (QSPR) model is developed to correlate the natural logarithm of infinite dilution activity coefficients, ln (Ξ³^∞^), of 45 chlorinated organic compounds in aqueous solution from quantum‐chemical descriptors. The best correlation equation con