An ab initio study of the H2O-mediated 1,3-hydrogen rearrangement in the HX-CH=Y(H2O) ⇄ X=CH-YH(H2O) isoelectric series : X, Y = CH2, NH, or O
- Author
- POIRIER, R. A1 ; YU, D; SURJAN, P. R
[1] Memorial univ. Newfoundland, chemistry dep., Saint John's NF A1B 3X7, Canada - Source
Canadian journal of chemistry (Print). = Journal canadien de chimie. 1991, Vol 69, Num 10, pp 1589-1599 ; ref : 53 ref
- CODEN
- CJCHAG
- ISSN
- 0008-4042
- Scientific domain
- Chemistry; Crystallography; Atomic molecular physics
- Publisher
- National Research Council of Canada, Ottawa, ON
- Publication country
- Canada
- Document type
- Article
- Language
- English
- Keyword (fr)
- Amidine Assistance ordinateur Complexe aqua Cétol Effet solvant Etude théorique Méthode MNDO Méthode ab initio Propène Réaction intramoléculaire Structure moléculaire Tautomère Transfert hydrogène Transposition chimique Série isoélectrique
- Keyword (en)
- Amidine Computer aid Aqua complex Ketol Solvent effect Theoretical study MNDO method Ab initio method Propene Intramolecular reaction Molecular structure Tautomer Hydrogen transfer Chemical rearrangement
- Keyword (es)
- Amidina Asistencia ordenador Complejo aqua Cetol Efecto solvente Estudio teórico Método MNDO Método ab initio Propeno Reacción intramolecular Estructura molecular Tautómero Transferencia hidrógeno Transposición química
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03B Reactivity and mechanisms / 001C03B01 Chemical reactivity
- Discipline
- Organic chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5356755
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
10.1139/v91-234 
https://dx.doi.org/10.1139/v91-234
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