Transition structures and energetics for the Cope rearrangement of cis-1,2-divinylcyclopropane: An ab initio study

Journal of Molecular Structure: THEOCHEM

Volumn 636, Issue 1-3, 2003, Pages 9-13

  Zora, Metin ^a   Özkan, Ilker ^a   Danişman, Mehmet Fatih ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

1,4 Cycloheptadiene; Ab initio; Cope rearrangement; Divinylcyclopropane; Hartree Fock; M ller Plesset; Pericyclic

Indexed keywords

1,2 DIVINYLCYCLOPROPANE; 1,4 CYCLOHEPTADIENE; CYCLOPROPANE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; COPE REARRANGEMENT; ENERGY TRANSFER; REACTION ANALYSIS;

EID: 0142010607     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00478-0     Document Type: Article

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