Ab initio prediction of the structures and stabilities of the hyperaluminum molecules Al3O and square-planar Al4O
- Author
- BOLDYREV, A. I; SCHLEYER, P. V. R
Friedrich-Alexander Univ. Erlangen-Nürnberg, Inst. Organische Chemie, Erlangen 8520, Germany - Source
Journal of the American Chemical Society. 1991, Vol 113, Num 24, pp 9045-9054 ; ref : 72 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)
- Aluminium Oxygène Molécule Composé minéral Energie dissociation Etude expérimentale Harmonique Isomère Molécule petite Métallation Méthode ab initio Orbitale gaussienne Partition Moller Plesset Stabilité Structure électronique Théorie Hartree Fock Hypermétallation
- Keyword (en)
- Aluminium Oxygen Molecules Inorganic compound Dissociation energy Experimental study Harmonic Isomer Small molecule Metalation Ab initio method Gaussian orbital Moller Plesset partition Stability Electronic structure Hartree Fock theory
- Keyword (es)
- Aluminio Oxígeno Molécula Compuesto inorgánico Energía disociación Estudio experimental Armónica Isómero Molécula pequeña Metalación Método ab initio Orbital gaussiano Partición Moller Plesset Estabilidad Estructura electrónica Teoría Hartree Fock
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A25 Electron correlation calculations for atoms and molecules
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5188763
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/ja00024a003 
https://dx.doi.org/10.1021/ja00024a003
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