Radiation-induced radicals in glucose-1-phosphate. II. DFT analysis of structures and possible formation mechanisms

Journal of Physical Chemistry B

Volumn 112, Issue 47, 2008, Pages 15054-15063

  Pauwels, Ewald ^a   De Cooman, Hendrik ^a   Vanhaelewyn, Gauthier ^a   Sagstuen, Einar ^b   Callens, Freddy ^a   Waroquier, Michel ^a  

^a GHENT UNIVERSITY   (Belgium)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; CRYSTALLOGRAPHY; DATA STRUCTURES; GLUCOSE; ISOMERS; PROBABILITY DENSITY FUNCTION; RADIATION CHEMISTRY; SUGAR (SUCROSE); SUGARS; TENSORS;

CHEMICAL COMPOSITIONS; COMPUTATIONAL SCHEMES; CONFORMATIONAL FREEDOMS; DFT METHODS; DIHYDRATE; FORMATION MECHANISMS; HYPERFINE COUPLING TENSORS; MODEL COMPOUNDS; OPTIMIZED STRUCTURES; REACTION SCHEMES; STRUCTURAL IDENTIFICATIONS;

SINGLE CRYSTALS;

EID: 57449103770     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804287c     Document Type: Article

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