How do spin-orbit-induced heavy-atom effects on nmr chemical shifts function? Validation of a simple analogy to spin-spin coupling by density functional theory (DFT) calculations on some iodo compounds

Chemistry - A European Journal

Volumn 4, Issue 1, 1998, Pages 118-126

  Kaupp, Martin ^a   Malkina, Olga L ^b   Malkin, Vladimir G ^b   Pyykkö, Pekka ^c  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b INSTITUTE OF CHEMISTRY   (Slovakia)

^c UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Density functional calculations; NMR spectroscopy; Relativistic effects; Spin orbit coupling; Spin spin coupling

Indexed keywords

EID: 0031887727     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1521-3765(199801)4:1<118::aid-chem118>3.3.co;2-y     Document Type: Article

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