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Manuscript title: A Tale of Two Topological Isomers: Uptuning [FeIV(O)(Me4cyclam)]2+ for Olefin Epoxidation
Journal: Proc. Natl. Acad. Sci. U.S.A.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Swart, Marcel | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2023-10-20T15:35:48Z | - |
| dc.date.available | 2024-04-09T14:01:13Z | - |
| dc.date.created | 2023-10-20T17:35:47.173+02:00 | - |
| dc.date.issued | 2023-10-20T17:35:47.173+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/5025 | - |
| dc.description | frq_ic_2_3.2219615.out | - |
| dc.publisher | University of Minnesota | - |
| dc.publisher | Universitat de Girona | - |
| dc.publisher | ICREA | - |
| dc.relation | Original title: A Tale of Two Topological Isomers: Uptuning [FeIV(O)(Me4cyclam)]2+ for Olefin Epoxidation DOI: 10.1073/pnas.2319799121 Journal: Proc. Natl. Acad. Sci. U.S.A. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-65 | - |
| dc.relation.uri | http://dx.doi.org/10.1073/pnas.2319799121 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | olefin epoxidation | - |
| dc.subject | non-heme iron(IV)-oxo complexes | - |
| dc.subject | topological isomers | - |
| dc.subject | tetramethylcyclam | - |
| dc.title | frq_ic_2_3_2219615_out | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-10-20T15:35:48Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.program.other | 304 | en |
| cml.method | 4. 2. 1 | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 3 | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 2 | en |
| cml.formula.generic | C16H35FeN5O | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | A Tale of Two Topological Isomers: Uptuning [FeIV(O)(Me4cyclam)]2+ for Olefin Epoxidation - DOI: 10.19061/iochem-bd-4-65 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/5025
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