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| File | Description | Size | |
|---|---|---|---|
| fc_s_dimer_2py_scalar.in | 2.57 kB | Download | |
| output.cml | 207.27 kB | Download |
Referenced by:
Manuscript title: Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide
Journal: Inorg. Chem.
Metadata:
| Title: | dimer_2pyr_scalar |
| Authors: | Petrus, Enric Institute of Chemical Research of Catalonia |
| Keywords: | Uranyl;Hydrogen Evolution Reaction;Actinides;Photochemistry |
| Issue Date: | 3-May-2020 |
| Publisher: | Institute of Chemical Research of Catalonia Universitat Roviri i Virgili |
| Related to: | Title: Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide Journal: Inorg. Chem. DOI: 10.1021/acs.inorgchem.0c00757 |
| Description: | TD-DFT scalar ZORA calculation for the hydroxo-bridged dimer (abbreviated as D-PB-OH) |
| URI: | https://www.iochem-bd.org//handle/10/220141 |
| Appears in Collections: | Mechanistic Study on the Photochemical Formation of Hydrogen and Uranyl Peroxide |
Please use this identifier to cite or link to this item:
https://www.iochem-bd.org//handle/10/220141
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