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Manuscript title: Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X‑ray Total Scattering
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.5c04696
Metadata:
| Title: | /single_point_recalculations_Eel/T75 Mo08O26-0H |
| Authors: | Junkers, Laura S. |
| Keywords: | Hydrothermal conditions POMSimulator Isopolyoxomolybdates Hydrothermal synthesis Polyoxometalates |
| Issue Date: | 26-Feb-2025 |
| Publisher: | Institute of Chemical Research of Catalonia |
| Description: | T75, Mo08O26-0H, PBE/TZP single point calc. with temperature-corrected COSMO parameters |
| URI: | https://iochem-bd.iciq.es/browse/handle/100/96782 |
| Appears in Collections: | Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X‑ray Total Scattering - DOI: 10.19061/iochem-bd-1-373 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/96782
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