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Manuscript title: Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex
DOI: 10.1039/D2RA07401J
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Zlatar, Matija | |
| dc.date.accessioned | 2025-07-24T16:34:54Z | - |
| dc.date.available | 2025-07-24T18:34:38.803655+02:00 | |
| dc.date.available | 2025-07-24T16:34:54Z | - |
| dc.date.created | 2025-07-24T18:34:38.803655+02:00 | |
| dc.date.issued | 2025-07-24T18:34:38.803655+02:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/472105 | - |
| dc.description.abstract | [CuCl2(py-2pz)]2, X-ray structure, single point, M06-2X/TZP, high-spin | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex DOI: 10.1039/D2RA07401J | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-562 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D2RA07401J | |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Coordination modes | |
| dc.subject | copper(II) | |
| dc.subject | silver(I) | |
| dc.title | complex-1-xray-hs | |
| dc.type | dataset | |
| cml.program.name | AMS | |
| cml.program.version | 2022.102 | |
| cml.program.other | r103598 | |
| cml.method | 5. 1. 2 | |
| cml.basisset | TZP | |
| cml.multiplicity | 3 | |
| cml.spintype | UNrestricted | |
| cml.charge | 0 | |
| cml.energy.value | -615.692852 | |
| cml.energy.units | eV | |
| cml.formula.generic | C26H22Cl4Cu2N6O8 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | py-2pz-complexes - DOI: 10.19061/iochem-bd-6-562 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/472105
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