Prediction of infinite dilution activity coefficients of chlorinated organic compounds in aqueous solution from quantum-chemical descriptors
A quantitative structure-property relationship (QSPR) model is developed to correlate the natural logarithm of infinite dilution activity coefficients, ln (gamma(infinity)), of 45 chlorinated organic compounds in aqueous solution from quantum-chemical descriptors. The best correlation equation conta...
| Publié dans: | Journal of computational chemistry. - 1984. - 22(2001), 15 vom: 30. Nov., Seite 1851-1856 |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2001
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article |