Self-interaction corrected density functional theory for the study of intramolecular electron transfer dynamics in radical carbocations

Journal of Physical Chemistry A

Volumn 111, Issue 51, 2007, Pages 13528-13536

  Tavernelli, Ivano ^a  

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRONS; FREE ENERGY; MOLECULAR STRUCTURE; THERMODYNAMICS;

ELECTRON TRANSFER DYNAMICS; RADICAL CARBOCATIONS;

POSITIVE IONS;

EID: 38349190855     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0767056     Document Type: Article

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