Theoretical study of hydridocobalt carbonyls
- Author
- ANTOLOVIC, D1 ; DAVIDSON, E. R
[1] Indiana univ., dep. chemistry, Bloomington IN 47405, India - Source
Journal of the American Chemical Society. 1987, Vol 109, Num 4, pp 977-985 ; ref : dissem
- 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)
- Cobalt Carbonyle Complexe Complexe hydruro Composé minéral Conformation Distribution charge électronique Etude théorique Fonction diffuse Métal transition Carbonyle Complexe Méthode SCF Méthode ab initio Orbitale frontière Orbitale gaussienne contractée
- Keyword (en)
- Cobalt Carbonyl Complexes Hydrido complex Inorganic compound Conformation Electron charge distribution Theoretical study Diffuse function Transition metal Carbonyl Complexes SCF method Ab initio method Frontier orbital Contracted gaussian orbital
- Keyword (es)
- Cobalto Complejo hidruro Compuesto mineral Conformación Distribución carga electrónica Estudio teórico Función difusa Metal transición Método SCF Método ab initio Orbital frontera Orbital gaussiano contractado
- 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
- 7468546
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/ja00238a003 
https://dx.doi.org/10.1021/ja00238a003
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