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.
Development of a COSMO-SAC Parametrization with Advanced QM Method TZVPD-FINE