Electronic supporting information to Maste et al. - The Accuracy Limit of Chemical Shift Predictions for Species in Aqueous Solution
| Identifier | |
|---|---|
| DOI | https://doi.org/10.22000/1743 |
| Related Identifier | https://doi.org/10.1039/D3CP05471C |
| Metadata Access | https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.22000/1743 |
| Provenance | |
|---|---|
| Creator | Maste, Stefan  |
| Publisher | Cluster of Excellence RESOLV |
| Contributor | RADAR |
| Publication Year | 2024 |
| Funding Reference | Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 ROR EXC-2033 – Projektnummer 390677874 ; Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 ROR FOR 1979 |
| Rights | Open Access; Creative Commons Zero v1.0 Universal; info:eu-repo/semantics/openAccess; https://creativecommons.org/publicdomain/zero/1.0/legalcode |
| OpenAccess | true |
| Representation | |
|---|---|
| Resource Type | Snapshot and optimized structures with corresponding shielding constants, example inputs; Dataset |
| Format | application/x-tar |
| Discipline | Chemistry; Natural Sciences |