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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... Click to show full 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...
Keywords:
sac model;
cosmo sac;
computational variables;
variables performances;
role computational
Journal Title: Industrial & Engineering Chemistry Research
Year Published: 2021
Link to full text (if available)
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Journal Title: Industrial & Engineering Chemistry Research
Year Published: 2021
Link to full text (if available)
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recommendations!