A density functional theory study of hyperfine structures of neutral S,N-heterocycles

Magnetic Resonance in Chemistry

Volumn 34, Issue 11, 1996, Pages 913-920

  Gassmann, J ^a   Fabian, J ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Ab initio MO theory; Density functional theory; Electron spin resonance spectroscopy; Hyperfine interactions; Sulfur nitrogen containing radicals

Indexed keywords

CHEMICAL BONDS; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC STRUCTURE; ISOMERS; MAGNETIC MOMENTS; QUANTUM CHEMISTRY; SULFUR;

AB INITIO MO; AB INITIO MO THEORY; BASIS SETS; DENSITY FUNCTIONAL THEORY STUDIES; DENSITY-FUNCTIONAL-THEORY; HYPERFINE COUPLING CONSTANTS; HYPERFINE INTERACTIONS; ISOTROPIC HYPERFINE COUPLINGS; MO THEORY; SULPHUR-NITROGEN-CONTAINING RADICAL;

DENSITY FUNCTIONAL THEORY;

EID: 0030505549     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-458X(199611)34:11<913::AID-OMR997>3.0.CO;2-3     Document Type: Article

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