1. UdG
  2. Marcel Swart community
  3. Larry Que
  4. A 5000-fold Increase in the HAT Reactivity of a Nonheme FeIV=O Complex Simply by Replacing Two Pyridines of N4Py Ligand with Pyrazoles

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Manuscript title: A 5000-fold Increase in the HAT Reactivity of a Nonheme FeIV=O Complex Simply by Replacing Two Pyridines of N4Py Ligand with Pyrazoles

Journal: Proc. Natl. Acad. Sci. U.S.A.

DOI: 10.1073/pnas.2414962122

Full metadata record
DC FieldValueLanguage
dc.contributor.authorSwart, Marcel-
dc.date.accessioned2024-11-23T19:34:27Z-
dc.date.available2025-02-04T07:37:04Z-
dc.date.created2024-11-23T20:34:26.171222+01:00-
dc.date.issued2024-11-23T20:34:26.171222+01:00-
dc.identifier.urihttps://iochem.udg.edu/browse/handle/100/6345-
dc.description/users/marcel/calcs/ssb-d/larry/N2Py/N3Py1Qbis-
dc.publisherUdG-
dc.publisherUniv. Minnesota-
dc.relationOriginal title: A 5000-fold Increase in the HAT Reactivity of a Nonheme FeIV=O Complex Simply by Replacing Two Pyridines of N4Py Ligand with Pyrazoles DOI: 10.1073/pnas.2414962122 Journal: Proc. Natl. Acad. Sci. U.S.A.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-80-
dc.relation.urihttp://dx.doi.org/10.1073/pnas.2414962122*
dc.rightsCC BY 4.0 (c) UdG, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectIron-
dc.subjectOxidation-
dc.title/N3PyQbis opt_feiii-oh_2_6-
dc.typedataset-
dc.date.updated2024-11-23T19:34:27Z-
cml.program.nameADFen
cml.program.version2019en
cml.program.other304en
cml.method4. 2. 1en
cml.basissetTZ2Pen
cml.multiplicity6en
cml.spintypeUNrestricteden
cml.charge2en
cml.formula.genericC27H24FeN5Oen
cml.calculationtypeSingle point Quilden
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:A 5000-fold Increase in the HAT Reactivity of a Nonheme FeIV=O Complex Simply by Replacing Two Pyridines of N4Py Ligand with Pyrazoles - DOI: 10.19061/iochem-bd-4-80

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