Ab initio study of the (SO2)2+ ion-molecule complex
- Author
- MCKEE, M. L
Auburn univ., dep. chemistry, Auburn AL 36849, United States - Source
Journal of physical chemistry (1952). 1990, Vol 94, Num 23, pp 8553-8557 ; ref : 25 ref
- CODEN
- JPCHAX
- ISSN
- 0022-3654
- Scientific domain
- General chemistry, physical chemistry; Metallurgy, welding; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Cation minéral Complexe moléculaire Composé minéral Configuration géométrique Corrélation électronique Energie totale Etude théorique Fonction polarisation Molécule triatomique Méthode ab initio Orbitale gaussienne Partition Moller Plesset Potentiel ionisation Soufre dioxyde Théorie Hartree Fock Transition vibrationnelle Programme GAUSSIAN 86 Soufre dioxyde cation
- Keyword (en)
- Inorganic cation Molecular complex Inorganic compound Geometrical configuration Electron correlation Total energy Theoretical study Polarization function Triatomic molecule Ab initio method Gaussian orbital Moller Plesset partition Ionization potential Sulfur dioxide Hartree Fock theory Vibrational transition
- Keyword (es)
- Catión inorgánico Complejo molecular Compuesto inorgánico Configuración geométrica Correlación electrónica Energía total Estudio teórico Función polarización Molécula triatómica Método ab initio Orbital gaussiano Partición Moller Plesset Potencial de ionización Dióxido sulfúrico Teoría Hartree Fock Transición vibracional
- 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
- 5068983
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/j100386a013 
https://dx.doi.org/10.1021/j100386a013
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