Identification and conformational study of stable radiation-induced defects in sucrose single crystals using density functional theory calculations of electron magnetic resonance parameters

Journal of Physical Chemistry B

Volumn 112, Issue 24, 2008, Pages 7298-7307

  De Cooman, H ^a   Pauwels, E ^a   Vrielinck, H ^a   Sagstuen, E ^b   Callens, F ^a   Waroquier, M ^a  

^a GHENT UNIVERSITY   (Belgium)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CHEMICAL BONDS; CONFORMATIONS; MAGNETIC RESONANCE; SINGLE CRYSTALS; SUGAR (SUCROSE); TENSORS;

CARBONYL GROUPS; CONFORMATIONAL STUDY; ELECTRON MAGNETIC RESONANCE; EXPERIMENTAL INVESTIGATIONS; GEOMETRICAL CONFIGURATIONS; GLYCOSIDIC BOND CLEAVAGE; PROTON HYPERFINE COUPLINGS; STABLE RADIATION;

DENSITY FUNCTIONAL THEORY;

EID: 53349096147     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp712004g     Document Type: Article

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