Transition Structures, Energetics, and Secondary Kinetic Isotope Effects for Cope Rearrangements of cis-1,2-Divinylcyclobutane and cis-1,2-Divinylcyclopropane: A DFT Study

Journal of Organic Chemistry

Volumn 68, Issue 25, 2003, Pages 9635-9642

  Özkan, Ilker ^a   Zora, Metin ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

TRANSITION STRUCTURES;

ACTIVATION ENERGY; ISOTOPES; PROBABILITY DENSITY FUNCTION;

VINYL RESINS;

1,2 DIVINYLCYCLOBUTANE; 1,2 DIVINYLCYCLOPROPANE; CYCLOBUTANE DERIVATIVE; CYCLOPROPANE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; COMPUTER PREDICTION; DENSITY FUNCTIONAL THEORY; ENANTIOMER; GEOMETRY; MATHEMATICAL COMPUTING; PHASE TRANSITION; PREDICTION; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0345097548     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo035173w     Document Type: Article

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100. 2 KIEs in the two molecules.