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Manuscript title: Reductive Coupling of Nitric Oxide by Cu(I): Stepwise Formation of Mono and Dinitrosyl Species en route to a Cupric Hyponitrite Intermediate
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.2c09874
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Swart, Marcel | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2021-10-04T13:14:39Z | - |
| dc.date.available | 2023-02-01T06:14:06Z | - |
| dc.date.created | 2021-10-04T15:14:37.631+02:00 | - |
| dc.date.issued | 2021-10-04T15:14:37.631+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/3506 | - |
| dc.description | etoh4_diCu_DaltB_opt | - |
| dc.publisher | Johns Hopkins Univ. | - |
| dc.publisher | Oregon Health&Science Univ. | - |
| dc.publisher | Univ. Girona | - |
| dc.publisher | ICREA | - |
| dc.relation | Original title: Reductive Coupling of Nitric Oxide by Cu(I): Stepwise Formation of Mono and Dinitrosyl Species en route to a Cupric Hyponitrite Intermediate DOI: 10.1021/jacs.2c09874 Journal: J. Am. Chem. Soc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-35 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/jacs.2c09874 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | nitrosyls | - |
| dc.subject | dicopper | - |
| dc.subject | Raman spectroscopy | - |
| dc.subject | Density Functional Theory | - |
| dc.title | /etoh4_dicopper etoh4_diCu_DaltB_opt | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-10-04T13:14:39Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2017 | 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 | C44H60Cu2N10O6 | en |
| cml.calculationtype | Single point Quild | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Ken-Pierre_project - DOI: 10.19061/iochem-bd-4-35 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/3506
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