Calculation of the redox properties of aromatics and prediction of their coupling mechanism and oligomer redox properties

Journal of Physical Chemistry A

Volumn 113, Issue 46, 2009, Pages 13023-13028

  Henry, John B ^a   Mount, Andrew R ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP DENSITY FUNCTIONAL; COUPLING MECHANISM; ELECTROCHEMICAL STUDIES; ELECTRON SPIN DENSITY; IN-SILICO SCREENING; INDOLE MONOMERS; INDOLOCARBAZOLES; MOLECULAR MATERIALS; MOLECULAR PROPERTIES; OLIGOMER RADICALS; OXIDATION POTENTIALS; PLAUSIBLE MECHANISMS; REDOX PROPERTY; REDOX-ACTIVE; ROOM TEMPERATURE; THEORETICAL VALUES;

ACETONITRILE; MACHINE DESIGN; OLIGOMERS; OXIDATION; SPIN DYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 70449597893     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp907792b     Document Type: Article

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