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One electron changes the entire story: NMR versus pNMR

dc.contributor.authorDemissie, Taye Beyene
dc.date.accessioned2018-08-02T09:34:39Z
dc.date.available2018-08-02T09:34:39Z
dc.date.issued2017-11-28
dc.description.abstract<sup>11</sup>B NMR chemical shifts of structurally similar diamagnetic and paramagnetic molecules are obtained using four-component relativistic DFT calculations. The calculated chemical shifts of the diamagnetic molecules are compared with those of the paramagnetic molecules to get an insight on the influence of the unpaired electron on the <sup>11</sup>B chemical shifts.en_US
dc.descriptionAccepted manuscript version. Published version available at <a href=https://doi.org/10.1063/1.5012295> https://doi.org/10.1063/1.5012295</a>.en_US
dc.identifier.citationDemissie, T.B. (2017). One electron changes the entire story: NMR versus pNMR. AIP Conference Proceedings, 1906(030016). 10.1063/1.5012295en_US
dc.identifier.cristinIDFRIDAID 1565099
dc.identifier.doi10.1063/1.5012295
dc.identifier.issn0094-243X
dc.identifier.issn1551-7616
dc.identifier.urihttps://hdl.handle.net/10037/13335
dc.language.isoengen_US
dc.publisherAIP Publishingen_US
dc.relation.journalAIP Conference Proceedings
dc.relation.projectIDinfo:eu-repo/grantAgreement/RCN/SFF/262695/Norway/Hylleraas Centre for Quantum Molecular Sciences//en_US
dc.rights.accessRightsopenAccessen_US
dc.subjectVDP::Matematikk og Naturvitenskap: 400::Kjemi: 440en_US
dc.subjectVDP::Mathematics and natural science: 400::Chemistry: 440en_US
dc.subjectNMR chemical shiftsen_US
dc.subjectParamagnetic NMRen_US
dc.subjectBoron NMRen_US
dc.subjectdensity functional theoryen_US
dc.titleOne electron changes the entire story: NMR versus pNMRen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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