Actions:
View dataDownload geometryFiles in This Item:
| File | Description | Size | |
|---|---|---|---|
| fc_s_peroxo_scalar.in | 2.7 kB | Download | |
| output.cml | 299.11 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: | peroxo_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 spin-orbit scalar calculation for the product (abbreviated as D-HB-OO) |
| URI: | https://www.iochem-bd.org//handle/10/220139 |
| 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/10/220139
Item files in Find 
HTML5 resume (see conditions inside)