The DFT route to NMR chemical shifts

Journal of Computational Chemistry

Volumn 20, Issue 1, 1999, Pages 91-105

  Bühl, Michael ^a   Kaupp, Martin ^b   Malkina, Olga L ^c   Malkin, Vladimir G ^c  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^c INSTITUTE OF CHEMISTRY   (Slovakia)

Author keywords

Density functional theory; Fullerenes; NMR chemical shifts; Relativistic effects; Transition metal compounds; Van der Waals complexes

Indexed keywords

EID: 0003096451     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19990115)20:1<91::AID-JCC10>3.0.CO;2-C     Document Type: Article

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