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Manuscript title: A new series of bioactive Mo(V)2O2S2-based thiosemicarbazone complexes: Solution and DFT studies, and antifungal and antioxidant activities
Journal: J. Inorg. Biochem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Buils, Jordi | - |
| dc.date.accessioned | 2023-01-24T10:40:05Z | - |
| dc.date.available | 2023-05-27T16:50:24Z | - |
| dc.date.created | 2023-01-24T11:40:04.149+01:00 | - |
| dc.date.issued | 2023-01-24T11:40:04.149+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/53735 | - |
| dc.description | DFT 1H-NMR calculations on conformer 2 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: A new series of bioactive Mo(V)2O2S2-based thiosemicarbazone complexes: Solution and DFT studies, and antifungal and antioxidant activities DOI: 10.1016/j.jinorgbio.2023.112258 Journal: J. Inorg. Biochem. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-264 | - |
| dc.relation.uri | http://dx.doi.org/10.1016/j.jinorgbio.2023.112258 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | NMR | - |
| dc.subject | Molybdenum | - |
| dc.subject | Thiosemicarbazones | - |
| dc.title | Mo2O2S2-L3_trans_1H_NMR_conf2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-01-24T10:40:05Z | - |
| cml.program.name | AMS | en |
| cml.program.version | 2021.101 | en |
| cml.program.other | r94406 | en |
| cml.method | BP86 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -393.728383 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C20H24Mo2N6O6S4 | en |
| cml.calculationtype | Geometry optimization NMR | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Mo2O2S2-based_thiosemicarbazones_complexes - DOI: 10.19061/iochem-bd-1-264 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/53735
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