Toward a robust quantum-chemical description of organic mixed-valence systems

Journal of Physical Chemistry C

Volumn 118, Issue 8, 2014, Pages 3925-3934

  Sutton, Christopher ^a   Körzdörfer, Thomas ^a,b   Coropceanu, Veaceslav ^a   Brédas, Jean Luc ^a,c  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b UNIVERSITY OF POTSDAM   (Germany)

^c KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY COMMUNITY; COMPUTATIONAL STUDIES; ELECTRONIC COUPLING; HARTREE-FOCK METHODS; MIXED VALENCE SYSTEMS; REDOX SITES;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE;

QUANTUM CHEMISTRY;

EID: 84896813632     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp410461v     Document Type: Article

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