Приказ основних података о документу
Rotating Iron and Titanium Sandwich Complexes
dc.creator | Vlahović, Filip | |
dc.creator | Gruden-Pavlović, Maja | |
dc.creator | Swart, Marcel | |
dc.date.accessioned | 2018-11-22T00:43:55Z | |
dc.date.available | 2018-11-22T00:43:55Z | |
dc.date.issued | 2018 | |
dc.identifier.issn | 0947-6539 | |
dc.identifier.uri | https://cherry.chem.bg.ac.rs/handle/123456789/2129 | |
dc.description.abstract | The 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.publisher | Wiley-V C H Verlag Gmbh, Weinheim | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS// | |
dc.relation | MINECO [CTQ2014-59212-P, CTQ2015-70851-ERC] | |
dc.relation | COST Action [CM1305, COST-STSM-CM1305-38408] | |
dc.relation | GenCat (XRQTC network) | |
dc.relation | MICINN | |
dc.relation | European Fund for Regional Development [UNGI10-4E-801] | |
dc.relation | GenCat [2014SGR1202] | |
dc.rights | restrictedAccess | |
dc.source | Chemistry. A European Journal | |
dc.subject | Density functional calculations | en |
dc.subject | Ferrocene | en |
dc.subject | Sandwich compounds | en |
dc.subject | Spin states | en |
dc.subject | Titanium | en |
dc.title | Rotating Iron and Titanium Sandwich Complexes | en |
dc.type | article | |
dc.rights.license | ARR | |
dcterms.abstract | Влаховић, Филип; Груден-Павловић, Маја; Сwарт, Марцел; | |
dc.citation.volume | 24 | |
dc.citation.issue | 20 | |
dc.citation.spage | 5070 | |
dc.citation.epage | 5073 | |
dc.identifier.wos | 000429703700013 | |
dc.identifier.doi | 10.1002/chem.201704829 | |
dc.citation.other | 24(20): 5070-5073 | |
dc.citation.rank | M21 | |
dc.identifier.pmid | 29144564 | |
dc.description.other | Peer-reviewed manuscript: [http://cherry.chem.bg.ac.rs/handle/123456789/2983] | |
dc.description.other | Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3005] | |
dc.type.version | publishedVersion | en |
dc.identifier.scopus | 2-s2.0-85037358588 |