Role of hyperconjugation in the 1,2-shift reactivity of bicyclo[2.1.0]pentane and cyclopropane radical cations: A computational study

Journal of Physical Chemistry A

Volumn 116, Issue 43, 2012, Pages 10607-10614

  Blancafort, Lluís ^a   Williams, Ffrancon ^b  

^a UNIVERSITY OF GIRONA   (Spain)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SPIN; COMPUTATIONAL STUDIES; CYCLOPENTENES; EXPERIMENTAL VALUES; HOUSANES; HYPERCONJUGATION; HYPERCONJUGATIVE INTERACTIONS; HYPERFINE COUPLING; HYPERFINE COUPLING CONSTANTS; LOCALIZED SPIN; METHYLENE BRIDGE; OVERALL REACTIONS; RADICAL CATIONS; REARRANGEMENT REACTIONS;

COMPLEXATION; DENSITY FUNCTIONAL THEORY; HYDROGEN; ISOMERS; PARAFFINS; PROPANE;

POSITIVE IONS;

EID: 84868253870     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp307532b     Document Type: Article

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