ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion
Journal: J. Chem. Soc., Dalton Trans.
DOI: 10.1039/D3DT03010E
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Zlatar, Matija | |
| dc.date.accessioned | 2025-07-23T14:08:25Z | - |
| dc.date.available | 2025-07-23T16:07:56.76451+02:00 | |
| dc.date.available | 2025-07-23T14:08:25Z | - |
| dc.date.created | 2025-07-23T16:07:56.76451+02:00 | |
| dc.date.issued | 2025-07-23T16:07:56.76451+02:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/471878 | - |
| dc.description.abstract | optimization bp86-d4/tzp-cosmo(dmso) | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion DOI: 10.1039/D3DT03010E Journal: J. Chem. Soc., Dalton Trans. | |
| dc.relation.ispartof | J. Chem. Soc., Dalton Trans. | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-559 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D3DT03010E | |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | azoles | |
| dc.subject | voriconazole | |
| dc.subject | silver(I) complexes | |
| dc.subject | econazole | |
| dc.title | ctz | |
| dc.type | dataset | |
| cml.program.name | AMS | |
| cml.program.version | 2023.104 | |
| cml.program.other | r115785 | |
| cml.method | BP86 | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.charge | 0 | |
| cml.energy.value | -275.524745 | |
| cml.energy.units | eV | |
| cml.formula.generic | C22H17ClN2 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Ag-azoles - DOI: 10.19061/iochem-bd-6-559 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/471878
Item files in Browse 
HTML5 resume (see conditions inside)