Ab initio quadratic configuration interaction calculation of the isotropic hyperfine coupling constants in the ethyl radical
- Author
- CARMICHAEL, I
Univ. Notre Dame, radiation lab., Notre Dame IN 46556, United States - Source
Journal of physical chemistry (1952). 1991, Vol 95, Num 16, pp 6198-6201 ; ref : 34 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)
- Composé aliphatique Constante couplage hyperfin Corrélation électronique Etude théorique Interaction configuration Méthode ab initio Orbitale gaussienne contractée Radical libre organique Ethyle Programme GAUSSIAN 86 Programme GAUSSIAN 88
- Keyword (en)
- Aliphatic compound Hyperfine coupling constant Electron correlation Theoretical study Configuration interaction Ab initio method Contracted gaussian orbital Organic free radical
- Keyword (es)
- Compuesto alifático Constante acoplamiento hiperfino Correlación electrónica Estudio teórico Interacción configuración Método ab initio Orbital gaussiano contractado Radical libre orgánico
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A30 Corrections to electronic structure
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5038930
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/j100169a029 
https://dx.doi.org/10.1021/j100169a029
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