Bridging Vibrations and Spins: Mode-Resolved Spin-Phonon Coupling Revealed through THz EPR/Magnetic IR Simulation

DOI

ORCA inputfiles for calculating spin-phonon couplings and scripts to process them

Identifier
DOI https://doi.org/10.17617/3.AIUEMB
Metadata Access https://edmond.mpg.de/api/datasets/export?exporter=dataverse_json&persistentId=doi:10.17617/3.AIUEMB
Provenance
Creator Maurice van Gastel
Publisher Edmond
Publication Year 2026
Funding Reference FOR5215 TP8; DFG, MPG
OpenAccess true
Contact MAURICE.VAN-GASTEL(at)KOFO.MPG.DE
Representation
Language English
Resource Type Dataset
Version 1
Discipline Other