Theoretical evidence for two geometrical isomers of AgO2
- Author
- ILLAS, F1 ; RUBIO, J; RICART, J. M; CABOT, P. L
[1] Univ. Barcelona, fac. farmacia, dep. físico químico aplicada, Barcelona 08028, Spain - Source
Journal of the American Chemical Society. 1986, Vol 108, Num 25, pp 7893-7897 ; ref : 18 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)
- Argent Peroxyde Composé minéral Conformation Distribution charge électronique Energie transition Etude théorique Isomère Molécule triatomique Méthode CI Méthode SCF Pseudopotentiel Structure électronique Transition vibrationnelle
- Keyword (en)
- Silver Peroxides Inorganic compound Conformation Electron charge distribution Transition energy Theoretical study Isomer Triatomic molecule CI method SCF method Pseudopotential Electronic structure Vibrational transition
- Keyword (es)
- Plata Compuesto mineral Conformacion Distribucion de la carga electronica Energía transición Estudio teórico Isomero Molécula triatómica Método CI Método SCF Seudopotencial Estructura electronica 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
- 8289728
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/ja00285a002 
https://dx.doi.org/10.1021/ja00285a002
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