Ab initio calculations of the fundamental OH frequency of bound OH- ions
- Author
- HERMANSSON, K
Uppsala univ., dep. chemistry, Uppsala 751 21, Sweden - Source
The Journal of chemical physics. 1991, Vol 95, Num 5, pp 3578-3588 ; ref : 56 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)
- Aluminium Ion atomique Complexe moléculaire Constante force Corrélation électronique Distribution charge électronique Energie totale Etude théorique Fonction polarisation Hydroxyde Ion Interaction électrostatique Lithium Ion atomique Longueur liaison Moment dipolaire Méthode ab initio Orbitale gaussienne contractée Partition Moller Plesset Théorie Hartree Fock avec contrainte Transition vibrationnelle Programme HONDO 8
- Keyword (en)
- Aluminium Atomic ions Molecular complex Force constant Electron correlation Electron charge distribution Total energy Theoretical study Polarization function Hydroxides Ions Electrostatic interaction Lithium Atomic ions Bond length Dipole moment Ab initio method Contracted gaussian orbital Moller Plesset partition Restricted Hartree Fock theory Vibrational transition
- Keyword (es)
- Aluminio Ión atómico Complejo molecular Constante fuerza Correlación electrónica Distribución carga electrónica Energía total Estudio teórico Función polarización Hidróxido Ión Interacción electrostática Litio Ión atómico Longitud enlace Momento dipolar Método ab initio Orbital gaussiano contractado Partición Moller Plesset Teoría Hartree Fock restringida Transición vibracional
- 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
- 5000847
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
10.1063/1.460808 
https://dx.doi.org/10.1063/1.460808
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