Role of Computational Variables on the Performances of COSMO-SAC Model: A Combined Theoretical and Experimental Investigation
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DOI: 10.1021/acs.iecr.0c04276
Abstract: The effect of key computational parameters of the quantum chemical approach underpinning the COSMO-SAC model is investigated, considering as target property the activity coefficients at infinite di... read more here.
Keywords: sac model; cosmo sac; computational variables; variables performances ... See more keywords