Check out our most recent collaboration on atomic polarizabilities calculated with ORCA and how they can be used to improve openCOSMO-RS.

https://doi.org/10.1016/j.ces.2025.122170

Calculation of atomic polarizabilities with ORCA 6.1:

https://www.faccts.de/docs/orca/6.1/manual/contents/spectroscopyproperties/electric.html?q=atomic+polarizabilities&n=0#atomic-dipole-moment-and-polarizabilities

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