Computational study on the effects of substituents and functional groups in the isomerization of 1- and 2-substituted propenes, acetaldimines, and aldehydes

European Journal of Organic Chemistry

Volumn , Issue 7, 2004, Pages 1432-1443

  Chuang, Chi Hsiang ^a   Lien, Min Hsiung ^a  

^a NATIONAL CHUNG HSING UNIVERSITY   (Taiwan)

Author keywords

Ab initio calculations; Density functional calculations; Enols; Isomerization; Ketones

Indexed keywords

ALDEHYDE DERIVATIVE; ALKENE DERIVATIVE; IMINE; PROPYLENE;

AB INITIO CALCULATION; ARTICLE; CORRELATION COEFFICIENT; DENSITY FUNCTIONAL THEORY; DISSOCIATION CONSTANT; ISOMERIZATION; MATHEMATICAL MODEL; PHASE TRANSITION; QUANTUM MECHANICS; STRUCTURE ANALYSIS; SUBSTITUTION REACTION; THERMODYNAMICS;

EID: 4544254546     PISSN: 1434193X     EISSN: None     Source Type: Journal    
DOI: 10.1002/ejoc.200300666     Document Type: Article

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