A density functional study of the Claisen rearrangement of allyl aryl ether, allyl arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through reactivity and selectivity profiles

Journal of Physical Chemistry A

Volumn 106, Issue 46, 2002, Pages 11227-11233

  Gómez, Badhin ^a   Chattaraj, Pratim K ^b   Chamorro, E ^c   Contreras, R ^a   Fuentealba, P ^a  

^a UNIVERSITY OF CHILE   (Chile)

^b INDIAN INSTITUTE OF TECHNOLOGY   (India)

^c UNIVERSIDAD ANDRÉS BELLO   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; HARDNESS; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

META-SUBSTITUTION;

ETHERS;

EID: 0037153308     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020437o     Document Type: Article

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