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dc.creatorVlahović, Filip
dc.creatorGruden-Pavlović, Maja
dc.creatorSwart, Marcel
dc.date.accessioned2018-11-22T00:43:55Z
dc.date.available2018-11-22T00:43:55Z
dc.date.issued2018
dc.identifier.issn0947-6539
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/2129
dc.description.abstractThe origin for the rotational barrier of organometallic versus inorganic sandwich complexes has remained enigmatic for the past decades. Here, we investigate in detail what causes the substantial barrier for titanodecaphosphacene through spin-state consistent density functional theory. Orbital interactions are shown to be the determining factor.en
dc.publisherWiley-V C H Verlag Gmbh, Weinheim
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//
dc.relationMINECO [CTQ2014-59212-P, CTQ2015-70851-ERC]
dc.relationCOST Action [CM1305, COST-STSM-CM1305-38408]
dc.relationGenCat (XRQTC network)
dc.relationMICINN
dc.relationEuropean Fund for Regional Development [UNGI10-4E-801]
dc.relationGenCat [2014SGR1202]
dc.rightsrestrictedAccess
dc.sourceChemistry. A European Journal
dc.subjectDensity functional calculationsen
dc.subjectFerroceneen
dc.subjectSandwich compoundsen
dc.subjectSpin statesen
dc.subjectTitaniumen
dc.titleRotating Iron and Titanium Sandwich Complexesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractВлаховић, Филип; Груден-Павловић, Маја; Сwарт, Марцел;
dc.citation.volume24
dc.citation.issue20
dc.citation.spage5070
dc.citation.epage5073
dc.identifier.wos000429703700013
dc.identifier.doi10.1002/chem.201704829
dc.citation.other24(20): 5070-5073
dc.citation.rankM21
dc.identifier.pmid29144564
dc.description.otherPeer-reviewed manuscript: [http://cherry.chem.bg.ac.rs/handle/123456789/2983]
dc.description.otherSupplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3005]
dc.type.versionpublishedVersionen
dc.identifier.scopus2-s2.0-85037358588
dc.identifier.rcubKon_3460


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