Hybrid density functional study of the p-benzosemiquinone anion radical: The influence of hydrogen bonding on geometry and hyperfine couplings

Journal of Physical Chemistry A

Volumn 101, Issue 35, 1997, Pages 6334-6338

  O'Malley, Patrick J ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; FREE RADICALS; HYDROGEN BONDS; MOLECULAR STRUCTURE;

BENZOSEMIQUINONE; HYBRID DENSITY FUNCTIONAL CALCULATION;

KETONES;

EID: 0031208297     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971238l     Document Type: Article

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