Redox potentials with COSMO-RS: Systematic benchmarking with different databases

L Tomanik, L Rulisek, P Slavicek - Journal of Chemical Theory …, 2023 - ACS Publications
Recent techniques of computational electrochemistry can yield redox potentials with
accuracy as good as 0.1 V. Yet, many such methods are not universal, easy to use, or …

Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases

L Tomaník, L Rulíšek… - Journal of chemical …, 2023 - pubmed.ncbi.nlm.nih.gov
Recent techniques of computational electrochemistry can yield redox potentials with
accuracy as good as 0.1 V. Yet, many such methods are not universal, easy to use, or …