Density functionals for calculating NMR 1JCH coupling constants in electron-rich systems

Chemical Physics Letters

Volumn 454, Issue 1-3, 2008, Pages 129-132

  Neto, Alvaro Cunha ^a   Santos, Francisco P dos ^a   Paula, Alex S ^a   Tormena, Cláudio F ^a   Rittner, Roberto ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS;

COUPLING CONSTANTS; TETRAHYDROPYRAN DERIVATIVES;

SPIN DYNAMICS;

EID: 39749152116     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.01.052     Document Type: Article

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