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Manuscript title: Synergy of Experimental and Computational Chemistry: Structure and Biological Activity of Zn(II) Hydrazone Complexes
Journal: J. Chem. Soc., Dalton Trans.
DOI: 10.1039/D4DT01353K
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Zlatar, Matija | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-05-07T14:58:42Z | - |
| dc.date.available | 2024-07-23T20:27:44Z | - |
| dc.date.created | 2024-05-07T16:58:40.334+02:00 | - |
| dc.date.issued | 2024-05-07T16:58:40.334+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/320765 | - |
| dc.description | SP_cam-b3lyp-tzp | - |
| dc.publisher | University of Belgrade - Institute of Chemistry, Technology and Metallurgy | - |
| dc.relation | Original title: Synergy of Experimental and Computational Chemistry: Structure and Biological Activity of Zn(II) Hydrazone Complexes DOI: 10.1039/D4DT01353K Journal: J. Chem. Soc., Dalton Trans. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-362 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D4DT01353K | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Conceptual DFT | - |
| dc.subject | Hydrazones | - |
| dc.subject | Electronic structure | - |
| dc.subject | Bond energy | - |
| dc.subject | Zn complexes | - |
| dc.title | /DMSO/SP Zn-L-DMSO_sp | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-05-07T14:58:42Z | - |
| cml.program.name | AMS | en |
| cml.program.version | 2023.104 | en |
| cml.program.other | r115785 | en |
| cml.method | en | |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 2 | en |
| cml.energy.value | -436.533665 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C16H29BrN4O3S2Zn | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | DFT computational Data for: - DOI: 10.19061/iochem-bd-6-362 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/320765
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