Theoretical evaluation of global and local electrophilicity patterns to characterize hetero-diels - Alder cycloaddition of three-membered 2H-azirine ring system

Journal of Physical Chemistry A

Volumn 114, Issue 2, 2010, Pages 1032-1038

  Sharma, Pratibha ^a   Kumar, Ashok ^a   Sahu, Vinita ^a  

^a DEVI AHILYA UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; CYCLOPENTADIENES; DESCRIPTORS; DFT METHOD; DIELS-ALDER; DIELS-ALDER CYCLOADDITIONS; DIENOPHILES; ELECTRON-DEFICIENT; ELECTROPHILICITY; ELECTROPHILICITY INDEX; HETERO-DIELS-ALDER; NUCLEOPHILICITIES; NUMBER OF ELECTRONS; RING SYSTEMS; THEORETICAL EVALUATION;

ALDEHYDES;

OLEFINS;

AZIRINE DERIVATIVE; CYCLOPENTANE DERIVATIVE; FURAN DERIVATIVE; FURFURAL;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; ISOMERISM;

ALGORITHMS; AZIRINES; CYCLOPENTANES; ELECTRONS; FURALDEHYDE; FURANS; ISOMERISM; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION;

EID: 75249107951     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9088222     Document Type: Article

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