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Manuscript title: Design and Modulation of Selectivity toward Vanadium(V) and Uranium(VI) Ions: Coordination Properties and Affinity of Hydroxylamino-Triazine Siderophores
Journal: Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Bandeira, Nuno | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-10-10T16:04:46Z | - |
| dc.date.available | 2023-10-10T16:04:46Z | - |
| dc.date.created | 2023-10-10T18:04:44.281+02:00 | - |
| dc.date.issued | 2023-10-10T18:04:44.281+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/312083 | - |
| dc.description | Optimisation | - |
| dc.publisher | School of Chemistry, The University of Glasgow. Glasgow G12 8QQ (UK). Email: Charalampos.moiras@glasgow.ac.uk | - |
| dc.publisher | Department of Chemistry, Section of Inorganic and Analytical Chemistry, University of Ioannina, 45110 Ioannina, Greece. | - |
| dc.publisher | University of Nicosia, School of Veterinary Medicine, 2414, Nicosia, Cyprus. | - |
| dc.publisher | Biosystems and Integrative Sciences Institute (BioISI)- Departamento de Química e Bioquímica. Faculdade de Ciências Universidade de Lisboa; 8.5.53 - C8 Campo Grande, 1749-016 Lisboa Portugal. E-mail: nuno.bandeira@ciencias.ulisboa.pt | - |
| dc.publisher | University of Cyprus, Department of Chemistry, 2109, Nicosia, Cyprus. Email: akeramid@ucy.ac.cy | - |
| dc.relation | Original title: Design and Modulation of Selectivity toward Vanadium(V) and Uranium(VI) Ions: Coordination Properties and Affinity of Hydroxylamino-Triazine Siderophores DOI: 10.1021/acs.inorgchem.3c02678 Journal: Inorg. Chem. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-294 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.inorgchem.3c02678 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Vanadyl | - |
| dc.subject | Uranium | - |
| dc.subject | Speciation | - |
| dc.subject | Density functional calculations | - |
| dc.subject | Vanadium | - |
| dc.subject | Uranyl | - |
| dc.title | /enl _(UO2)(H2O)2(VO2)enl_ | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-10-10T16:04:46Z | - |
| cml.program.name | AMS | en |
| cml.program.version | 2020.101 | en |
| cml.program.other | r89258 | en |
| cml.method | PBEc revPBEx | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | -1 | en |
| cml.energy.value | -375.773018 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C12H22N12O10UV | en |
| cml.calculationtype | Frequencies | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Vanadyl_and_Uranyl_Complexes - DOI: 10.19061/iochem-bd-6-294 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/312083
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