Theoretical calculation of the singlet-singlet electronic transition and photochemical reactivity in fluoroxytrifluoromethane, fluoro-peroxytrifluoromethane, bis-(trifluoromethyl) peroxide and bis(trifluoromethyl) trioxide
- Author
- OTTAVIANELLI, E1 ; CASTRO, E. A; JUBERT, A. H
[1] INIFTA, La Plata 1900, Argentina - Source
Journal of fluorine chemistry. 1988, Vol 38, Num 1, pp 75-84 ; ref : 13 ref
- CODEN
- JFLCAR
- ISSN
- 0022-1139
- Scientific domain
- Organic chemistry
- Publisher
- Elsevier Sequoia, Lausanne
- Publication country
- Switzerland
- Document type
- Article
- Language
- English
- Keyword (fr)
- Composé aliphatique saturé Composé organique Distribution charge électronique Etude théorique Fluor Composé organique Intégrale 2 centres Intégrale Coulomb Intégrale répulsion Méthode CI Méthode CNDO S Transition singulet singulet Transition électronique Fluorite(trifluorométhyl) Halogénite organique Hypofluorite(trifluorométhyl) Méthyle peroxyde(perfluoro) Méthyle trioxyde(perfluoro)
- Keyword (en)
- Saturated aliphatic compound Organic compounds Electron charge distribution Theoretical study Fluorine Organic compounds Two center integral Coulomb integral Repulsion integral CI method CNDO S method Singlet singlet transition Electronic transition
- Keyword (es)
- Compuesto alifático saturado Compuesto organico Distribución carga electrónica Estudio teórico Fluor Integral 2 centros Integral Coulomb Integral repulsión Método CI Método CNDO S Transición singlete singlete Transición electrónica
- 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
- 7517658
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
10.1016/S0022-1139(00)85060-5 
https://dx.doi.org/10.1016/S0022-1139(00)85060-5
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