A parametrical embedding method for catalytic modeling
- Author
- POVEDA, Flor Marina1 ; FERNANDEZ-SANZ, Javier2 ; RUETTE, Fernando3
[1] Grupo de Quimica Teórica, Universidad Nacional de Colombia, Bogota, Colombia
[2] Departamento de Química Fisica, Universidad de Sevilla, 41012, Sevilla, Spain
[3] Laboratorio de Quimica Computacional, Centro de Química, IVIC, Caracas, Venezuela - Source
Journal of molecular catalysis. A, Chemical. 2003, Vol 191, Num 1, pp 101-112, 12 p ; ref : 56 ref
- ISSN
- 1381-1169
- Scientific domain
- General chemistry, physical chemistry
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Aluminium Oxyde Catalyse hétérogène Catalyseur sur support Etude théorique Méthode atome enrobé Méthode paramétrique Nickel Métal transition
- Keyword (en)
- Aluminium Oxides Heterogeneous catalysis Supported catalyst Theoretical study Embedded atom method Parametric method Nickel Transition metal
- Keyword (es)
- Aluminio Óxido Catálisis heterogénea Catalizador sobre soporte Estudio teórico Método átomo revestido Método paramétrico Niquel Metal transición
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A03 Catalysis / 001C01A03B Catalytic reactions
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 14390395
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
10.1016/S1381-1169(02)00355-2 
https://dx.doi.org/10.1016/S1381-1169(02)00355-2
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