Choice of exchange-correlation functional for computing NMR indirect spin-spin coupling constants

Chemical Physics Letters

Volumn 425, Issue 1-3, 2006, Pages 163-166

  Keal, Thomas W ^a   Helgaker, Trygve ^b   Sałek, Paweł ^c   Tozer, David J ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF OSLO   (Norway)

^c ALBANOVA UNIVERSITY CENTER   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR PHYSICS; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION;

EXCHANGE-CORRELATION; NUCLEAR SPIN-SPIN COUPLING; QUALITY COUPLINGS;

ELECTRON ENERGY LEVELS;

EID: 33744986670     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.05.032     Document Type: Article

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