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Manuscript title: Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes
Journal: Eur. J. Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Zlatar, Matija | |
| dc.date.accessioned | 2025-07-23T11:27:31Z | - |
| dc.date.available | 2025-07-23T13:27:10.430012+02:00 | |
| dc.date.available | 2025-07-23T11:27:31Z | - |
| dc.date.created | 2025-07-23T13:27:10.430012+02:00 | |
| dc.date.issued | 2025-07-23T13:27:10.430012+02:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/471862 | - |
| dc.description.abstract | bp86-d4/tzp | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes DOI: 10.1002/ejic.202300193 Journal: Eur. J. Inorg. Chem. | |
| dc.relation.ispartof | Eur. J. Inorg. Chem. | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-558 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/ejic.202300193 | |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | hydrazone ligands | |
| dc.subject | catalysis | |
| dc.subject | Zn(II) complexes | |
| dc.subject | KA2 coupling reaction | |
| dc.title | /OPT 3 | |
| dc.type | dataset | |
| cml.program.name | AMS | |
| cml.program.version | 2022.102 | |
| cml.program.other | r103598 | |
| cml.method | BP86 | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.charge | -1 | |
| cml.energy.value | -168.634564 | |
| cml.energy.units | eV | |
| cml.formula.generic | C6H7N10S2Zn | |
| cml.calculationtype | Frequencies | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Zn-KA2 - DOI: 10.19061/iochem-bd-6-558 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/471862
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