An analysis of 3d correlation effects in the bonding of atomic axygen to Cu(100)
- Author
- ILLAS, F1 ; RUBIO, J; RICART, J. M
[1] Univ. Barcelona, fac. química, group química quántica, Barcelona 08029, Spain - Source
The Journal of chemical physics. 1991, Vol 95, Num 6, pp 4225-4229 ; ref : 24 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)
- Agrégat moléculaire Chimisorption Composé minéral Corrélation électronique Cuivre Molécule Energie interaction Energie liaison Energie totale Etude théorique Modèle moléculaire Méthode MR CI Méthode ab initio Orbitale gaussienne contractée Oxygène Atome Système atome molécule Théorie Hartree Fock
- Keyword (en)
- Molecular cluster Chemisorption Inorganic compound Electron correlation Copper Molecules Interaction energy Binding energy Total energy Theoretical study Molecular model MR CI method Ab initio method Contracted gaussian orbital Oxygen Atoms Atom molecule system Hartree Fock theory
- Keyword (es)
- Agregado molecular Adsorción química Compuesto inorgánico Correlación electrónica Cobre Molécula Energía interacción Energía enlace Energía total Estudio teórico Modelo molecular Método MR CI Método ab initio Orbital gaussiano contractado Oxígeno Atomo Sistema átomo molécula Teoría Hartree Fock
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30F Studies of special atoms, molecules and their ions; clusters / 001B30F40 Atomic and molecular clusters
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5019802
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
10.1063/1.460777 
https://dx.doi.org/10.1063/1.460777
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