A density functional theory study of the cyclization and ring opening reactions of selected 2,2-diphenyl-cyclopropyl radicals

Journal of Molecular Structure: THEOCHEM

Volumn 811, Issue 1-3, 2007, Pages 135-140

  Guan, Xiangguo ^a   Phillips, David Lee ^a  

^a UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

Density functional theory; Free energy barrier; Radical cyclization; Ring opening; Spin densities

Indexed keywords

EID: 34248200494     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.02.039     Document Type: Article

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