Quadricyclane Radical Cation Rearrangements: A Computational Study of the Transformations to 1,3,5-Cycloheptatriene and Norbornadiene

Chemistry - A European Journal

Volumn 10, Issue 3, 2004, Pages 681-688

  Larsson, Per Erik ^a   Salhi Benachenhou, Nessima ^a   Lunell, Sten ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

Density functional calculations; Electronic structure; EPR spectroscopy; Radical ions; Rearrangement

Indexed keywords

ACTIVATION ENERGY; OLEFINS; OXIDATION;

RADICAL CATIONS; TRANSITION STRUCTURES;

POSITIVE IONS;

1,3,5 CYCLOHEPTATRIENE; CATION; CYCLOALKENE; NORBORNADIENE DERIVATIVE; QUADRICYCLANE RADICAL CATION; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ENERGY; GEOMETRY; REACTION ANALYSIS;

EID: 1242307883     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200305067     Document Type: Article

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