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Manuscript title: Silver(I) and gold(III) complexes with miconazole: the influence of the metal ion on the antimicrobial activity of the coordinated azole

Journal: Inorg. Chim. Acta

DOI: 10.1016/j.ica.2024.122393

Full metadata record
DC FieldValueLanguage
dc.contributor.authorZlatar, Matija-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2024-07-22T14:56:19Z-
dc.date.available2025-02-11T16:45:12Z-
dc.date.created2024-07-22T16:56:17.869786+02:00-
dc.date.issued2024-07-22T16:56:17.869786+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/323393-
dc.descriptionlda-tzp-cosmo(etoh)-
dc.publisherUniversity of Belgrade - Institute of Chemistry, Technology and Metallurgy-
dc.relationOriginal title: Silver(I) and gold(III) complexes with miconazole: the influence of the metal ion on the antimicrobial activity of the coordinated azole DOI: 10.1016/j.ica.2024.122393 Journal: Inorg. Chim. Acta*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-390-
dc.relation.urihttp://dx.doi.org/10.1016/j.ica.2024.122393*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectUV/Vis spectroscopy-
dc.subjectAu(III) complexes-
dc.subjectAg(I) complexes-
dc.subjectMiconazole-
dc.subjectElectronic structure-
dc.title/Opt au_cl3_etoh_opt-freq-
dc.typedataset-
dc.date.updated2024-07-22T14:56:19Z-
cml.program.nameAMSen
cml.program.version2024.101en
cml.program.otherr121099en
cml.methodVWNen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.energy.value-60.731610en
cml.energy.unitseVen
cml.formula.genericC2H6AuCl3Oen
cml.calculationtypeFrequenciesen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:DFT computational Data for: - DOI: 10.19061/iochem-bd-6-390



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