Ab initio spectroscopy and thermochemistry of the BN molecule
- Author
- MARTIN, J. M. L; FRANÇOIS, J. P; GIJBELS, R
Limburgs univ. cent., dep. SBM, Diepenbeek 3590, Belgium - Source
Zeitschrift für Physik. D, atoms, molecules and clusters. 1991, Vol 21, Num 1, pp 47-55 ; ref : 55 ref
- CODEN
- ZDACE2
- ISSN
- 0178-7683
- Scientific domain
- Atomic molecular physics
- Publisher
- Springer, Berlin
/
Springer, Heidelberg
/
Springer, New York, NY
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Keyword (fr)
- Bore Nitrure Composé minéral Constante anharmonicité Constante moléculaire Constante rotation Constante vibration Energie dissociation Etude théorique Fonction thermodynamique Interaction configuration Longueur liaison Molécule diatomique Méthode SD CI Méthode ab initio Orbitale gaussienne contractée Transition électronique Programme GAUSSIAN 88
- Keyword (en)
- Boron Nitrides Inorganic compound Anharmonicity constant Molecular constant Rotational constant Vibrational constant Dissociation energy Theoretical study Thermodynamic function Configuration interaction Bond length Diatomic molecule SD CI method Ab initio method Contracted gaussian orbital Electronic transition
- Keyword (es)
- Boro Nitruro Compuesto inorgánico Constante anharmonocidad Constante molecular Constante rotación Constante vibración Energía disociación Estudio teórico Función termodinámica Interacción configuración Longitud enlace Molécula diatómica Método SD CI Método ab initio Orbital gaussiano contractado 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
- 5041263
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
10.1007/BF01426617 
https://dx.doi.org/10.1007/BF01426617
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