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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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