Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6 ]2- and [IrF6 ]2.

Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF₆ ]^2- and [IrF₆ ]².

Haase, Pi A B; Repisky, Michal; Komorovsky, Stanislav; Bendix, Jesper; Sauer, Stephan P A.

Haase PAB; Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, Copenhagen Ø, Denmark.
Repisky M; Van Swinderen Institute, University of Groningen, Nijenborgh 4, 9747 AG, Groningen, The Netherlands.
Komorovsky S; CTCC, Department of Chemistry, University of Tromsø, N-9037, Tromsø, Norway.
Bendix J; Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska Cesta 9, SK-84536, Bratislava, Slovakia.
Sauer SPA; Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, Copenhagen Ø, Denmark.

Chemistry ; 24(20): 5124-5133, 2018 Apr 06.

Article en En | MEDLINE | ID: mdl-29027277