[CP2K-user] Solvation in Metals
Dev Rana
dev.... at gmail.com
Thu Aug 6 14:39:18 UTC 2020
Hello,
What might be the best method of determining solvation parameters for a
metal solvent? i.e. Aluminum? Ideally, I'd want to use COSMO, however how
can one tweak the Andreussi or F-G models to yield similar results?
Best Regards,
Dev
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