Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms
- Author
- LEE, T. J; RICE, J. E
NASA, Ames res. cent., Moffett Field CA 94035, United States - Source
Journal of physical chemistry (1952). 1992, Vol 96, Num 2, pp 650-657 ; ref : 48 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)
- Acide minéral Composé minéral Conformation Corrélation électronique Energie totale Etude théorique Forme protonée Intensité Isomère Mode vibration Molécule petite Moment dipolaire Méthode SCF Méthode ab initio Méthode amas couplé Nitrique acide Partition Moller Plesset Spectre IR
- Keyword (en)
- Inorganic acids Inorganic compound Conformation Electron correlation Total energy Theoretical study Protonated form Intensity Isomer Vibrational mode Small molecule Dipole moment SCF method Ab initio method Coupled cluster method Nitric acid Moller Plesset partition Infrared spectrum
- Keyword (es)
- Acido inorgánico Compuesto inorgánico Conformación Correlación electrónica Energía total Estudio teórico Forma protonada Intensidad Isómero Modo de vibración Molécula pequeña Momento dipolar Método SCF Método ab initio Método conglomerado acoplado Nítrico ácido Partición Moller Plesset Espectro IR
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C20 Molecular spectra
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5336191
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/j100181a026 
https://dx.doi.org/10.1021/j100181a026
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