Aromatic vs diradical character in the transition states of the cope rearrangements of 1,5-hexadiene and its cyano derivatives

Journal of Physical Chemistry A

Volumn 108, Issue 1, 2004, Pages 194-202

  Blavins, Joshua J ^a   Cooper, David L ^b   Karadakov, Peter B ^a  

^a UNIVERSITY OF YORK   (United Kingdom)

^b UNIVERSITY OF LIVERPOOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DERIVATIVES; FREE RADICALS; MOLECULAR STRUCTURE; OPTIMIZATION; PERTURBATION TECHNIQUES; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

CYANO DERIVATIVES; GAS-PHASE COPE REARRANGEMENT; HEXADIENE; VALENCE BOND;

AROMATIC COMPOUNDS;

EID: 1642502279     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036660i     Document Type: Article

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