A new analysis of charge transfer and polarization for ligand-metal bonding: model studies of Al4CO and Al4NH3
- Author
- BAGUS, P. S1 ; HERMANN, K; BAUSCHLICHER, C. W. JR
[1] IBM, res. lab., San Jose CA 95193, United States - Source
The Journal of chemical physics. 1984, Vol 80, Num 9, pp 4378-4386 ; ref : 30 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)
- Adsorbat minéral Adsorbat métallique Adsorption gaz solide Aluminium Molécule Aluminium Ammoniac Carbone monoxyde Etude théorique Face cristalline Interaction intermoléculaire Liaison chimisorption Méthode SCF Transfert charge
- Keyword (en)
- Inorganic adsorbate Metallic adsorbate Gas solid adsorption Aluminium Molecules Aluminium Ammonia Carbon monoxide Theoretical study Crystal face Intermolecular interaction Chemisorption bond SCF method Charge transfer
- 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
- 8875615
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
10.1063/1.447215 
https://dx.doi.org/10.1063/1.447215
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