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| Hauptverfasser: | , |
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| Format: | Recurso digital |
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| Veröffentlicht: |
Zenodo
2025
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| Online-Zugang: | https://doi.org/10.5281/zenodo.17021242 |
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Inhaltsangabe:
- <p>This repository contains all relevant computational data related to the publication "Ligand Field Tuning of Photoreactivity: Contrasting Low-spin and High-spin Fe(III)-Azido Complexes".</p> <p>The dataset is split into the raw quantum chemical data and notebooks for analysis, which operate on the enclosed data.</p>