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Manuscript title: Cooperative Dinitrogen Activation: Identifying the Push-Pull Effects of Transition Metals and Lewis Acids in Molecular Orbital Diagrams

Journal: Eur. J. Inorg. Chem.

DOI: 10.1002/ejic.202300268

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DC FieldValueLanguage
dc.contributor.authorMartins, Frederico-
dc.coverage.spatialES Girona-
dc.date.accessioned2023-04-06T07:48:01Z-
dc.date.available2023-11-20T11:52:38Z-
dc.date.created2023-04-06T09:47:59.859+02:00-
dc.date.issued2023-04-06T09:47:59.859+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/4632-
dc.description/users/fmartins/electrochem-
dc.publisherUdG-
dc.publisherTUD-
dc.relationOriginal title: Cooperative Dinitrogen Activation: Identifying the Push-Pull Effects of Transition Metals and Lewis Acids in Molecular Orbital Diagrams DOI: 10.1002/ejic.202300268 Journal: Eur. J. Inorg. Chem.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-56-
dc.relation.urihttp://dx.doi.org/10.1002/ejic.202300268*
dc.rightsCC BY 4.0 (c) UdG, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCooperative effects-
dc.subjectLewis acids-
dc.subjectNitrogen activation-
dc.subjectTransition metals-
dc.subjectMolecular orbitals-
dc.title/electrochem frq_opt_bch3_re_-1_2-
dc.typedataset-
dc.date.updated2023-04-06T07:48:01Z-
cml.program.nameOrcaen
cml.program.version5.0.2en
cml.program.otherRELEASEen
cml.methodDFTen
cml.basissetdef2-TZVPen
cml.multiplicity2en
cml.spintypeUnrestricteden
cml.charge-1en
cml.energy.value-3405.13712043en
cml.energy.unitsEhen
cml.formula.genericC35H53BClN2P4Reen
cml.calculationtypeSingle point Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:NitrogenAct_LA - DOI: 10.19061/iochem-bd-4-56



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/4632

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