Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX3, X = F, Cl, Br, i

Magnetic Resonance in Chemistry

Volumn 48, Issue SUPPL. 1, 2010, Pages

  Moncho, Salvador ^a   Autschbach, Jochen ^b  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE; PARAMAGNETISM; TENSORS;

INVERSE HALOGEN DEPENDENCE; LOCALISED; NUCLEAR MAGNETIC SHIELDINGS; NUCLEAR SHIELDING; ORBITAL ANALYSIS; ORBITALS; RELATIVISTIC DENSITY FUNCTIONAL THEORY; SHIELDING TENSORS; TWO-COMPONENT; ZEROTH-ORDER REGULAR APPROXIMATIONS;

MOLECULAR ORBITALS;

EID: 78649652777     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2632     Document Type: Article

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