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

DOI

All optimized molecular geometries produced during this work

COSMO-RS

Identifier
DOI https://doi.org/10.22000/1721
Metadata Access https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.22000/1721
Provenance
Creator Nevolianis, Thomas ORCID logo; Ahmed, Raja A.; Hellweg, Arnim ORCID logo; Diedenhofen, Michael ORCID logo; Leonhard, Kai ORCID logo
Publisher RWTH Aachen University
Contributor RADAR
Publication Year 2023
Funding Reference Deutsche Forschungsgemeinschaft 501100001659 Crossref Funder ID 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems
Rights Open Access; Creative Commons Attribution 4.0 International; info:eu-repo/semantics/openAccess; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Representation
Resource Type Dataset
Format application/x-tar
Discipline Chemistry; Life Sciences; Natural Sciences