Generalized spin density functional study of radical reactions

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 376-383

  Yamanaka, S ^a   Ohsaku, T ^a   Yamaki, D ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Generalized spin density functional theory; Multireference density functional theory; Radical reaction; Spin inversion process

Indexed keywords

ATOMIC PHYSICS; CALCULATIONS; GROUND STATE; MOLECULES; OXIDATION; OXYGEN; PROBABILITY DENSITY FUNCTION; RELATIVITY;

GENERALIZED SPIN ORBITAL; OXYGEN MOLECULE; RELATIVISTIC EFFECTS; SPIN DENSITY FUNCTIONAL; SPIN INVERSION PROCESS;

FREE RADICAL REACTIONS;

EID: 0037454918     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10403     Document Type: Article

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