Hartree-Fock and density functional complete basis-set (CBS) predicted nuclear shielding anisotropy and shielding tensor components

Solid State Nuclear Magnetic Resonance

Volumn 23, Issue 3, 2003, Pages 145-167

  Kupka, Teobald ^a   Ruscic, Branko ^a   Botto, Robert E ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

CBS; DFT and RHF; GIAO; Solid state NMR

Indexed keywords

LEAST SQUARES APPROXIMATIONS; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; SHIELDING; TENSORS;

NUCLEAR SHIELDING;

ANISOTROPY;

EID: 0038182994     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0926-2040(02)00020-6     Document Type: Article

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