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Manuscript title: Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions

DOI: 10.1002/advs.202401293

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DC FieldValueLanguage
dc.contributor.authorMollfulleda, Rosa-
dc.coverage.spatialES Girona-
dc.date.accessioned2023-11-07T14:20:04Z-
dc.date.available2024-03-20T18:04:38Z-
dc.date.created2023-11-07T15:20:03.415+01:00-
dc.date.issued2023-11-07T15:20:03.415+01:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/5095-
dc.descriptionopt_pFRuCl2_0_1.4297150.out-
dc.publisherUdG-
dc.relationOriginal title: Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions DOI: 10.1002/advs.202401293*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-68-
dc.relation.urihttp://dx.doi.org/10.1002/advs.202401293*
dc.rightsCC BY 4.0 (c) UdG, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectElectronic structure-
dc.subjectmetal-metal bond-
dc.subjectBidentate ligands-
dc.subjectDiruthenium-
dc.titleopt_pFRuCl2_0_1-
dc.typedataset-
dc.date.updated2023-11-07T14:20:04Z-
cml.program.nameADFen
cml.program.version2019en
cml.program.other307en
cml.methodS12g-x PBEcen
cml.basissetTZ2Pen
cml.multiplicity3en
cml.spintypeUNrestricteden
cml.charge0en
cml.formula.genericC52H36Cl2F8N8Ru2en
cml.calculationtypeSingle point Quilden
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs4en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ru2_Torsion_effects - DOI: 10.19061/iochem-bd-4-68

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Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/5095

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