Peridic ab initio Hartree-Fock calculations of the low-symmetry mineral kaolinite
- Author
- HESS, A. C1 ; SAUNDERS, V. R
[1] Molecular sci. res. cent., Pacific Northwest lab., Richland WA 99352, United States - Source
Journal of physical chemistry (1952). 1992, Vol 96, Num 11, pp 4367-4374 ; ref : 21 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)
- Argile Bande valence Composé minéral Densité état Distribution charge électronique Etude théorique Kaolinite Liaison chimique Liaison hydrogène Modèle Hartree Fock Méthode LCAO Méthode ab initio Méthode projection Orbitale Transfert charge
- Keyword (en)
- Clay Valence band Inorganic compound Density of states Electron charge distribution Theoretical study Kaolinite Chemical bond Hydrogen bond Hartree Fock model LCAO method Ab initio method Projection method Orbital Charge transfer
- Keyword (es)
- Arcilla Banda valencia Compuesto inorgánico Densidad estado Distribución carga electrónica Estudio teórico Caolinita Enlace químico Enlace hidrógeno Modelo Hartree Fock Método LCAO Método ab initio Método proyección Orbital Transferencia carga
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A20 Electron density of states and band structure of crystalline solids
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5499752
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/j100190a047 
https://dx.doi.org/10.1021/j100190a047
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