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grimme-lab
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enso
energetic sorting of conformer rotamer ensembles
https://xtb-docs.readthedocs.io/en/latest/enso_doc/enso.html
GNU Lesser General Public License v3.0
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updating enso
#3
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fabothch
closed
4 years ago
fabothch
commented
4 years ago
Added solvent acetonitrile.
Added solvent acetonitrile.