Hybrid DFT study of the hyperfine coupling constants of methyl radicals in model matrix lattices

International Journal of Quantum Chemistry

Volumn 105, Issue 1, 2005, Pages 79-83

  Takada, Tomoya ^a   Tachikawa, Hiroto ^b  

^a ASAHIKAWA NATIONAL COLLEGE OF TECHNOLOGY   (Japan)

^b HOKKAIDO UNIVERSITY   (Japan)

Author keywords

DFT calculation; Hyperfine coupling constant; Matrices effect; Methyl radical

Indexed keywords

CRYSTAL LATTICES; FREE RADICALS; MATHEMATICAL MODELS; MATRIX ALGEBRA; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

DFT CALCULATION; HYPERFINE COUPLING CONSTANT; MATRICES EFFECT; METHYL RADICAL;

HYDROGEN;

EID: 27644454805     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20646     Document Type: Article

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