Bottlenecks in the prediction of regioselectivity of [4 + 2] cycloaddition reactions: An assessment of reactivity descriptors

Journal of Chemical Sciences

Volumn 117, Issue 5, 2005, Pages 573-582

  Gayatri, G ^a   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

DFT based descriptors; Prediction of regioselectivity; Reactivity descriptors; 4 + 2 Cycloaddition reactions

Indexed keywords

ACTIVATION ENERGY; CORRELATION THEORY;

DFT-BASED DESCRIPTORS; PREDICTION OF REGIOSELECTIVITY; REACTIVITY DESCRIPTORS; [4+2] CYCLOADDITION REACTIONS;

OLEFINS;

EID: 27844567152     PISSN: 02534134     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02708364     Document Type: Article

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