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Peroxo-Dicopper-Alkali DOI: 10.19061/iochem-bd-4-33
This dataset derived results are published in:
Manuscript title: Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.1c08645
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Subject
- 12 Dicopper
- 12 Lewis acids
- 12 Oxidation
- 12 UV-vis spectroscopy
Program name
- 12 ADF
Calculation type
- 12 Single point
Method
- 8 BP86
- 4 S12g-x PBEc
Recent Submissions
| Date: | 2021-09-27T16:05:00.494+02:00 |
| Title: | KO2m_freq |
| Author: | D’Amore, Lorenzo |
| Keywords: | Lewis acids Oxidation Dicopper UV-vis spectroscopy |
| Date: | 2021-09-27T16:04:57.498+02:00 |
| Title: | KO2mT_freq |
| Author: | D’Amore, Lorenzo |
| Keywords: | Lewis acids Oxidation Dicopper UV-vis spectroscopy |
| Date: | 2021-09-27T16:04:52.988+02:00 |
| Title: | O2m_freq |
| Author: | D’Amore, Lorenzo |
| Keywords: | Lewis acids Oxidation Dicopper UV-vis spectroscopy |
| Date: | 2021-09-27T16:04:49.991+02:00 |
| Title: | O2mT_freq |
| Author: | D’Amore, Lorenzo |
| Keywords: | Lewis acids Oxidation Dicopper UV-vis spectroscopy |
| Date: | 2021-09-27T16:04:46.989+02:00 |
| Title: | LiO2mT_freq |
| Author: | D’Amore, Lorenzo |
| Keywords: | Lewis acids Oxidation Dicopper UV-vis spectroscopy |
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