Ab initio study of NMR shielding constants and spin-rotation constants in N, P and As diatomic molecules

Computational and Theoretical Chemistry

Volumn 970, Issue 1-3, 2011, Pages 54-60

  Antušek, Andrej ^a   Jaszuński, Michał ^b   Olejniczak, Małgorzata ^c,d  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b INSTITUTE OF ORGANIC CHEMISTRY   (Poland)

^c UNIVERSITY OF WARSAW   (Poland)

^d UNIVERSITY OF TROMSØ   (Norway)

Author keywords

Coupled cluster method; NMR shielding constants; Relativistic corrections; Spin rotation constants

Indexed keywords

EID: 82455220584     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.05.026     Document Type: Article

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