Ab initio study of the nonadditive effects in the trimer of ammonia
- Author
- SZCZESNIAK, M. M1 ; KENDALL, R. A; CHALASINSKI, G
[1] Southern Illinois univ., dep. chemistry biochemistry, Carbondale IL 62901, United States - Source
The Journal of chemical physics. 1991, Vol 95, Num 7, pp 5169-5178 ; ref : 36 ref
- CODEN
- JCPSA6
- ISSN
- 0021-9606
- Scientific domain
- Atomic molecular physics; Condensed state physics; Polymers, paint and wood industries
- Publisher
- American Institute of Physics, Woodbury, NY
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Ammoniac Approximation Heitler London Composé minéral Corrélation électronique Energie corrélation Energie interaction Etude théorique Interaction dispersion Interaction induction Interaction intermoléculaire Interaction échange Molécule petite Méthode SCF Méthode ab initio Orbitale gaussienne contractée Partition Moller Plesset Programme GAUSSIAN 88
- Keyword (en)
- Ammonia Heitler London approximation Inorganic compound Electron correlation Correlation energy Interaction energy Theoretical study Dispersion interaction Induction interaction Intermolecular interaction Exchange interaction Small molecule SCF method Ab initio method Contracted gaussian orbital Moller Plesset partition
- Keyword (es)
- Amoníaco Aproximación Heitler Compuesto inorgánico Correlación electrónica Energía correlación Energía interacción Estudio teórico Interacción dispersión Interacción inducción Interacción intermolecular Interacción intercambio Molécula pequeña Método SCF Método ab initio Orbital gaussiano contractado Partición Moller Plesset
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A70 Effects of atomic and molecular interactions on electronic structure / 001B30A70D Environmental and solvent effects
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5019741
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
10.1063/1.461685 
https://dx.doi.org/10.1063/1.461685
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