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Manuscript title: Comparative Biological Activity of Manganese(II) and Zinc(II) Hydrazone Complexes
Journal: J. Chem. Soc., Dalton Trans.
DOI: 10.1039/D6DT00532B
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Zlatar, Matija | |
| dc.date.accessioned | 2026-02-23T22:16:14Z | - |
| dc.date.available | 2026-04-09T15:53:58Z | - |
| dc.date.created | 2026-02-23T22:16:09.600679Z | |
| dc.date.issued | 2026-02-23T22:16:09.600679Z | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/486482 | - |
| dc.description.abstract | wb97xd4rev/def2tzvp(-f)-smd(dmso) opt freq | |
| dc.description.sponsorship | Barcelona Supercomputing Center | |
| dc.description.sponsorship | Ministry of Science, Technological Development and Innovation of the Republic of Serbia | |
| dc.description.sponsorship | University of Belgrade – Institute of chemistry, technology and metallurgy | |
| dc.description.sponsorship | Science Fund of the Republic of Serbia, #7750288 | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Comparative Biological Activity of Manganese(II) and Zinc(II) Hydrazone Complexes DOI: 10.1039/D6DT00532B Journal: J. Chem. Soc., Dalton Trans. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-631 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D6DT00532B | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | UV/Vis absorption | |
| dc.subject | Hydrazones | |
| dc.subject | coordination chemistry | |
| dc.subject | TD-DFT | |
| dc.subject | Mn(II) complex | |
| dc.subject | Zn(II) complex | |
| dc.subject | Thermodynamics | |
| dc.subject | excited states | |
| dc.title | znII complex 3dmso opt freq | |
| dc.type | dataset | |
| cml.program.name | Orca | |
| cml.program.version | 6.1.1 | |
| cml.program.other | RELEASE | |
| cml.method | DFT | |
| cml.basisset | def2-tzvp(-f) | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.charge | 1 | |
| cml.energy.value | -6940.65033791738551 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C14H26BrN4O3S4Zn | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | ZnMn2026 - DOI: 10.19061/iochem-bd-6-631 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/486482
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