Theoretical study on the isomerization behavior between α,β-unsaturated acyl radicals and α-ketenyl radicals
- Author
- MATSUBARA, Hiroshi1 ; RYU, Ilhyong1 ; SCHIESSER, Carl H2
[1] Department of Chemistry, Faculty of Arts and Sciences, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan
[2] School of Chemistry, Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Victoria 3010, Australia - Source
Journal of organic chemistry. 2005, Vol 70, Num 9, pp 3610-3617, 8 p ; ref : 16 ref
- CODEN
- JOCEAH
- ISSN
- 0022-3263
- Scientific domain
- Biochemistry, molecular biology, biophysics; Organic chemistry
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Barrière énergie Composé insaturé Corrélation électronique Cétone Cétènes Etude théorique Germane organique Germanium Composé organique Isomérisation Méthode ab initio Méthode amas couplé Méthode fonctionnelle densité Prédiction Pseudopotentiel Radical libre organique Silane organique Stannane organique Stéréoisomère trans Valence
- Keyword (en)
- Energy barrier Unsaturated compound Electron correlation Ketone Ketenes Theoretical study Organic germane Germanium Organic compounds Isomerization Ab initio method Coupled cluster method Density functional method Prediction Pseudopotential Organic free radical Organic silane Organic stannane Trans stereoisomer Valence
- Keyword (es)
- Barrera energía Compuesto insaturado Correlación electrónica Cetona Cetenas Estudio teórico Germano orgánico Germanio Compuesto orgánico Isomerización Método ab initio Método conglomerado acoplado Predicción Seudopotencial Radical libre orgánico Silano orgánico Estannano orgánico Estereoisómero trans Valencia
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03B Reactivity and mechanisms / 001C03B04 Free radicals chemistry
- Discipline
- Organic chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16723635
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jo047868i 
https://dx.doi.org/10.1021/jo047868i
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