Adsorption of ethylene, benzene, and ethylbenzene over faujasite zeolites investigated by the ONIOM method
- Author
- KASURIYA, S1 ; NAMUANGRUK, S1 ; TREESUKOL, P1 ; TIRTOWIDJOJO, M2 ; LIMTRAKUL, J1
[1] Laboratory for Computational and Applied Chemistry, Kasetsart University, Bangkok 10900, Thailand
[2] The Dow Chemical Company, 2301 N. Brazosport Blvd, B-1226, Freeport, TX 77541-3257, United States - Source
Journal of catalysis (Print). 2003, Vol 219, Num 2, pp 320-328, 9 p ; ref : 49 ref
- CODEN
- JCTLA5
- ISSN
- 0021-9517
- Scientific domain
- General chemistry, physical chemistry
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- Adsorption Benzene Ethylbenzene ONIOM QM/MM Zeolite: Faujasite
- Keyword (fr)
- Acide Brönsted Adsorption Alcène Benzène(éthyl) Benzène Energie liaison Ethylène Faujasite Hydrocarbure Modèle moléculaire Méthode dynamique moléculaire Site actif Structure moléculaire Tamis moléculaire Zéolite
- Keyword (en)
- Brönsted acid Adsorption Alkene Ethylbenzene Benzene Binding energy Ethylene Faujasite Hydrocarbon Molecular model Molecular dynamics method Active site Molecular structure Molecular sieve Zeolite
- Keyword (es)
- Acido Bronsted Adsorción Alqueno Benceno(etil) Benceno Energía enlace Etileno Faujasita Hidrocarburo Modelo molecular Método dinámico molecular Lugar activo Estructura molecular Tamiz molecular Zeolita
- 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 / 001C01A03A Catalysts: preparations and properties
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01I Surface physical chemistry / 001C01I05 Ion-exchange / 001C01I05A Zeolites: preparations and properties
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 15192917
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/S0021-9517(03)00213-6 
https://dx.doi.org/10.1016/S0021-9517(03)00213-6
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