Transition metal NMR chemical shifts from optimized effective potentials

Journal of Chemical Physics

Volumn 126, Issue 7, 2007, Pages

  Teale, Andrew M ^a   Cohen, Aron J ^b   Tozer, David J ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

^b DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPLEXATION; EIGENVALUES AND EIGENFUNCTIONS; GRADIENT METHODS; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATIONS; METAL SHIELDING CONSTANTS; YANG WU IMPLEMENTATIONS;

TRANSITION METAL COMPOUNDS;

EID: 33847240470     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2436876     Document Type: Article

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