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Manuscript title: Solid-state 19F NMR chemical shift in square-planar nickel-fluoride complexes linked by halogen bonds
Journal: Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Castro, Abril C. | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2022-11-15T16:25:35Z | - |
| dc.date.available | 2023-04-13T08:55:53Z | - |
| dc.date.created | 2022-11-15T17:25:33.693+01:00 | - |
| dc.date.issued | 2022-11-15T17:25:33.693+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/250889 | - |
| dc.description | NMR NR | - |
| dc.publisher | ICGM, Université Montpellier, CNRS, ENSCM, 34090 Montpellier, France | - |
| dc.publisher | Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, 0315 Oslo, Norway | - |
| dc.publisher | Department of Chemistry, University of York, Heslington, York, YO10 5DD, United Kingdom | - |
| dc.relation | Original title: Solid-state 19F NMR chemical shift in square-planar nickel-fluoride complexes linked by halogen bonds DOI: 10.1021/acs.inorgchem.2c04063 Journal: Inorg. Chem. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-189 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.inorgchem.2c04063 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | 1oF-d(solid)_NR | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-11-15T16:25:35Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.01 | en |
| cml.method | RPBEPBE | en |
| cml.basisset | GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -4132.8159249 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C36H60F10I2Ni2P4 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Ni-halides - DOI: 10.19061/iochem-bd-6-189 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/250889
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