Check out our most recent collaboration on atomic polarizabilities calculated with ORCA and how they can be used to improve openCOSMO-RS.
doi.org/10.1016/j.ce...
Calculation of atomic polarizabilities with ORCA 6.1:
www.faccts.de/docs/orca/6....
#ORCAqc #Solvation #CompChem #openCOSMORS
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