Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: Glycyl radical as a case study

Journal of Chemical Physics

Volumn 121, Issue 14, 2004, Pages 6710-6718

  Ciofini, Ilaria ^a   Adamo, Carlo ^a   Barone, Vincenzo ^b  

^a CNRS   (France)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; HYDROGEN; MAGNETIC PROPERTIES; MOLECULAR VIBRATIONS; POLYPEPTIDES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RELIABILITY; SOLVENTS;

HYPERFINE COUPLINGS; MAGNETIC CHARACTERIZATION; OPEN-SHELL SYSTEMS; SOLVENT EFFECTS;

FREE RADICALS;

EID: 84961980631     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1791031     Document Type: Article

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