Experimental data and optimised coordinates to the publication Geometrical Benchmarking and Analysis of Redox Potentials of Copper(I/II) Guanidine-Quinoline Complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (Part III)
| Identifier | |
|---|---|
| DOI | https://doi.org/10.22000/593 |
| Related Identifier | https://doi.org/10.1002/jcc.26927 |
| Metadata Access | https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.22000/593 |
| Provenance | |
|---|---|
| Creator | Raßpe-Lange, Lukas; Hoffmann, Alexander  ; Gertig, Christoph; Heck, Joshua ; Leonhard, Kai ; Herres-Pawlis, Sonja |
| Publisher | RWTH Aachen University |
| Contributor | RADAR |
| Publication Year | 2022 |
| Funding Reference | Deutsche Forschungsgemeinschaft 501100001659 Crossref Funder ID ID: 390919832 under Germany’s Excellence Strategy – Cluster of Excellence 2186 ,,The Fuel Science Center’’; RWTH Aachen University 501100007210 Crossref Funder ID G:(DE-82)ZUK2-SF-CLS003 ERS funds; Deutsche Forschungsgemeinschaft 501100001659 Crossref Funder ID 413524714 Kontrolle des entatischen Zustands durch die gezielte optische Anregung der Ligandensphäre |
| Rights | Open Access; Creative Commons Attribution Non Commercial Share Alike 4.0 International; info:eu-repo/semantics/openAccess; https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode |
| OpenAccess | true |
| Representation | |
|---|---|
| Language | English |
| Resource Type | Experimental and DFT optimised coordinates; Dataset |
| Format | application/x-tar |
| Discipline | Chemistry; Construction Engineering and Architecture; Engineering; Engineering Sciences; Natural Sciences |
| Temporal Coverage | 2021-2022 |