Published July 14, 2025
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Development of a COSMO-SAC Parametrization with Advanced QM Method TZVPD-FINE
Authors/Creators
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1.
University of Aveiro
Description
Researchers from ILIMITED project partner Universidade de Aveiro (UAv) and colleagues from the Federal University of Rio Grande do Sul have co-authored the scientific article "Development of a COSMO-SAC Parametrization with Advanced QM Method TZVPD-FINE" published in the journal Industrial & Engineering Chemistry Research.
The article highlights the development and validation of a new, high-accuracy parametrization for the COSMO-SAC model, a crucial tool in computational chemistry for estimating phase equilibria.
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2025_UAV_Development of COSMO-SAC.pdf
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