Development of a method to model the mixing energy of solutions using COSMO molecular descriptors linked with a semi-empirical model using a combined ANN-QSPR methodology
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DOI: 10.1016/j.ces.2020.115764
Abstract: Abstract A methodology linking the interaction parameters of a semi-empirical model to COSMO molecular descriptors to represent the hE(x) is presented. A database of 4395 values of ester-alkane is used to check the procedure. Relationships… read more here.
Keywords: semi empirical; methodology; molecular descriptors; empirical model ... See more keywords