Data belonging to the publication "Blind prediction of toluene/water partition coefficients using COSMO-RS: Results from the SAMPL9 challenge"

Data belonging to the publication "Blind prediction of toluene/water partition coefficients using COSMO-RS: Results from the SAMPL9 challenge"

All optimized molecular geometries produced during this work

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Bibliographische Detailangaben
Hauptverfasser: Nevolianis, Thomas, Ahmed, Raja A., Hellweg, Arnim, Diedenhofen, Michael, Leonhard, Kai
Format: Dataset
Sprache:eng
Schlagworte:
Chemistry
Life Science
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Beschreibung
Zusammenfassung:All optimized molecular geometries produced during this work
DOI:10.22000/1721