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New COSMO-RS-trained fragment contribution models provided quantum chemically based predictions for a range of chlorinated paraffin congener groups and mixtures regarding partition properties and their temperature dependence.

environmental science. processes and impacts

Refinement and extension of COSMO-RS-trained fragment contribution models for predicting the partition properties of C<sub>10–20</sub> chlorinated paraffin congeners

Refinement and extension of COSMO-RS-trained fragment contribution models for predicting the partition properties of C10–20 chlorinated paraffin congeners

Refinement and extension of COSMO-RS-trained fragment contribution models for predicting the partition properties of C_10–20 chlorinated paraffin congeners