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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
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | D’Amore, Lorenzo | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2021-09-27T14:04:36Z | - |
| dc.date.available | 2022-01-30T14:58:27Z | - |
| dc.date.created | 2021-09-27T16:04:34.971+02:00 | - |
| dc.date.issued | 2021-09-27T16:04:34.971+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/1784 | - |
| dc.description | TDDFT (s12g) single point on top of the available x-ray coordinates | - |
| dc.publisher | Univ. Göttingen | - |
| dc.publisher | UdG | - |
| dc.publisher | ICREA | - |
| dc.relation | Original title: Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions DOI: 10.1021/jacs.1c08645 Journal: J. Am. Chem. Soc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-33 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/jacs.1c08645 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Lewis acids | - |
| dc.subject | Oxidation | - |
| dc.subject | Dicopper | - |
| dc.subject | UV-vis spectroscopy | - |
| dc.title | NaO2m_tddft | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-09-27T14:04:36Z | - |
| cml.program.name | ADF | en |
| cml.program.version | en | |
| cml.method | S12g-x PBEc | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 1 | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 2 | en |
| cml.formula.generic | C29H57Cu2N8O2Na | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Peroxo-Dicopper-Alkali - DOI: 10.19061/iochem-bd-4-33 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/1784
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