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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.

DOI: 10.1073/pnas.2319799121

Full metadata record
DC FieldValueLanguage
dc.contributor.authorSwart, Marcel-
dc.coverage.spatialES Girona-
dc.date.accessioned2023-10-20T15:31:54Z-
dc.date.available2024-04-09T14:01:02Z-
dc.date.created2023-10-20T17:31:53.317+02:00-
dc.date.issued2023-10-20T17:31:53.317+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/4947-
dc.descriptionfrq_ts_ts2-sc-dha_2_5.1237887.out-
dc.publisherUniversity of Minnesota-
dc.publisherUniversitat de Girona-
dc.publisherICREA-
dc.relationOriginal 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.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-65-
dc.relation.urihttp://dx.doi.org/10.1073/pnas.2319799121*
dc.rightsCC BY 4.0 (c) UdG, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectolefin epoxidation-
dc.subjectnon-heme iron(IV)-oxo complexes-
dc.subjecttopological isomers-
dc.subjecttetramethylcyclam-
dc.titlefrq_ts_ts2-sc-dha_2_5_1237887_out-
dc.typedataset-
dc.date.updated2023-10-20T15:31:54Z-
cml.program.nameADFen
cml.program.version2019en
cml.program.other304en
cml.method4. 2. 1en
cml.basissetTZ2Pen
cml.multiplicity5en
cml.spintypeUNrestricteden
cml.charge2en
cml.formula.genericC30H47FeN5Oen
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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/100/4947

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