Corresponding orbital analysis of the bonding of some monosubstituted benzenes
- Author
- AGREN, H; BAGUS, P. S
Univ. Florida, quantum theory project - Source
Journal of the American Chemical Society. 1985, Vol 107, Num 1, pp 134-137 ; ref : 13 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)
- Aniline Benzène(fluoro) Composé benzénique Composé organique Distribution charge électronique Effet substituant Etude théorique Liaison chimique Méthode ab initio Niveau énergie électronique Orbitale correspondante Phénol
- Keyword (en)
- Aniline Benzenic compound Organic compounds Electron charge distribution Substituent effect Theoretical study Chemical bond Ab initio method Electron energy level Phenol
- Keyword (es)
- Compuesto organico
- 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
- 8443190
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/ja00287a024 
https://dx.doi.org/10.1021/ja00287a024
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