Role of the solvent in computing the 1,4-benzosemiquinone g-tensor by the coupled-perturbed Kohn - Sham hybrid density functional method

Journal of Physical Chemistry B

Volumn 108, Issue 27, 2004, Pages 9449-9455

  Mattar, Saba M ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; FREE RADICALS; HYDROGEN BONDS; MACROMOLECULES; MAGNETIC FIELD EFFECTS; METHANOL; NEGATIVE IONS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; PROTEINS; SOLVENTS; TENSORS;

ANGULAR MOMENTUM; GAS PHASE; SPIN DENSITY; SUPER MOLECULES;

PARAMAGNETIC RESONANCE;

EID: 3142694800     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp031230d     Document Type: Article

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