Theoretical studies of conformations of acrolein, acrylic acid, methyl acrylate, and their Lewis acid complexes
- Author
- LONCHARICH, R. J1 ; SCHWARTZ, T. R; HOUK, K. N
[1] Univ. Pittsburgh, dep. chemistry, Pittsburgh PA 15260, United States - Source
Journal of the American Chemical Society. 1987, Vol 109, Num 1, pp 14-23 ; ref : 46 ref
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Acide carboxylique Acroléine Acrylique acide Addition Diels Alder Aldéhyde Borane minéral Borane Composé addition Composé aliphatique éthylénique Composé organique Conformation Dimension base Ester Etude théorique Forme protonée Isomère Lithium Ion atomique Méthode ab initio Orbitale gaussienne Réactivité chimique Acrylique acide,ester méthyle
- Keyword (en)
- Carboxylic acid Acrolein Acrylic acid Diels Alder addition Aldehyde Inorganic borane Borane Adduct Ethylenic aliphatic compound Organic compounds Conformation Basis set size Ester Theoretical study Protonated form Isomer Lithium Atomic ions Ab initio method Gaussian orbital Chemical reactivity
- Keyword (es)
- Acido carboxílico Acroleína Adición Diels Alder Aldehído Borano inorgánico Borano Compuesto adición Compuesto alifático etilénico Compuesto organico Conformación Dimensión base Ester Estudio teórico Forma protonada Isómero Litio Método ab initio Orbital gaussiano Reactividad química
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15A Ab initio calculations
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 7468650
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/ja00235a002 
https://dx.doi.org/10.1021/ja00235a002
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