Unraveling the role of stereo-electronic, dynamical, and environmental effects in tuning the structure and magnetic properties of glycine radical in aqueous solution at different pH values

Journal of the American Chemical Society

Volumn 129, Issue 49, 2007, Pages 15380-15390

  Brancato, Giuseppe ^a   Rega, Nadia ^a   Barone, Vincenzo ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; MAGNETIC PROPERTIES; MOLECULAR MODELING; PH EFFECTS; SOLUTIONS; VALENCE BANDS;

BOND LENGTHS; GYROMAGNETIC TENSOR; MAGNETIC PARAMETERS;

AMINO ACIDS;

GLYCINE; RADICAL; SOLVENT;

AQUEOUS SOLUTION; ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; DYNAMICS; ELECTROCHEMISTRY; ENVIRONMENTAL FACTOR; MAGNETISM; MODEL; PARAMETER; PH; QUANTITATIVE ANALYSIS; SIMULATION; SOLUTE; STEREOCHEMISTRY; VIBRATION;

COMPUTER SIMULATION; FREE RADICALS; GLYCINE; HYDROGEN-ION CONCENTRATION; MAGNETICS; MODELS, MOLECULAR; QUANTUM THEORY; SOLUTIONS; WATER;

EID: 37049038446     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja074910t     Document Type: Article

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