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Manuscript title: Coordination of Al(C6F5)3 vs B(C6F5)3 on Group 6 End-On Dinitrogen Complexes: Chemical and Structural Divergences

Journal: Chem. Sci.

DOI: 10.1039/D4SC02713B

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DC FieldValueLanguage
dc.contributor.authorMartins, Frederico-
dc.date.accessioned2024-04-10T07:32:21Z-
dc.date.available2024-06-14T12:06:53Z-
dc.date.created2024-04-10T09:32:20.032+02:00-
dc.date.issued2024-04-10T09:32:20.032+02:00-
dc.identifier.urihttps://iochem.udg.edu/browse/handle/100/5300-
dc.descriptionFreq calc B(C6F5)3-
dc.publisherTU Darmstadt-
dc.relationOriginal title: Coordination of Al(C6F5)3 vs B(C6F5)3 on Group 6 End-On Dinitrogen Complexes: Chemical and Structural Divergences DOI: 10.1039/D4SC02713B Journal: Chem. Sci.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-76-
dc.relation.urihttp://dx.doi.org/10.1039/D4SC02713B*
dc.rightsCC BY 4.0 (c) UdG, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCooperative effects-
dc.subjectLewis acids-
dc.subjectTransition metals-
dc.subjectSmall molecule activation-
dc.subjectNitrogen fixation-
dc.titlefrq_expsolv_bc6f5-
dc.typedataset-
dc.date.updated2024-04-10T07:32:21Z-
cml.program.nameOrcaen
cml.program.version5.0.4en
cml.program.otherRELEASEen
cml.methodDFTen
cml.basissetdef2-TZVPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.energy.value-2480.90746196en
cml.energy.unitsEhen
cml.formula.genericC25H8BF15en
cml.calculationtypeSingle point Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Al_vs_B - DOI: 10.19061/iochem-bd-4-76



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/5300

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