A Gd-Dimer Benchmark Study: Is DFT an accurate Method for the Prediction of Gadolinium Exchange Coupling Constants?

DOI

This folder contains .xyz files for all optimized structures investigated in the main paper.

Identifier
DOI https://doi.org/10.35097/mudjr5vgtzrwzuj9
Related Identifier IsIdenticalTo https://publikationen.bibliothek.kit.edu/1000191037
Metadata Access https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.35097/mudjr5vgtzrwzuj9
Provenance
Creator Pachl, Christian Franz; Braun, Jonas ORCID logo; Anson, Christopher; Fink, Karin ORCID logo
Publisher Karlsruhe Institute of Technology
Contributor RADAR
Publication Year 2026
Rights Open Access; Creative Commons Attribution Non Commercial 4.0 International; info:eu-repo/semantics/openAccess; https://creativecommons.org/licenses/by-nc/4.0/legalcode
OpenAccess true
Representation
Resource Type Dataset
Format application/x-tar
Size 81,4 kB
Discipline Construction Engineering and Architecture; Engineering; Engineering Sciences