Stochastic simulations of polymer growth and isomerization in the polymerization of propylene catalyzed by Pd-based diimine catalysts
- Author
- MICHALAK, Artur1 2 ; ZIEGLER, Tom1
[1] Department of Chemistry, University of Calgary, University Drive 2500, Calgary, Alberta, T2N IN4, Canada
[2] Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Ingardena 3, 30-060 Cracow, Poland - Source
Journal of the American Chemical Society. 2002, Vol 124, Num 25, pp 7519-7528
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Catalyseur complexe Complexe imido Composé aliphatique Composé éthylénique Effet coordinat Effet température Etude théorique Modèle stochastique Mécanisme réaction Méthode fonctionnelle densité Palladium Complexe Paramètre cinétique Polymérisation catalyseur complexe Propène Rapport branchement Métal transition Complexe Platinoïde Complexe
- Keyword (en)
- Complex catalyst Imido complex Aliphatic compound Ethylenic compound Ligand effect Temperature effect Theoretical study Stochastic model Reaction mechanism Density functional method Palladium Complexes Kinetic parameter Complex catalyst polymerization Propene Branching ratio Transition metal Complexes Platinoid Complexes
- Keyword (es)
- Catalizador complejo Complejo imido Compuesto alifático Compuesto etilénico Efecto ligando Efecto temperatura Estudio teórico Modelo estocástico Mecanismo reacción Paladio Complejo Parámetro cinético Polimerización catalizador complejo Propeno Relación ramificación Metal transición Complejo Platinoide Complejo
- Classification
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D09 Physicochemistry of polymers / 001D09D Organic polymers / 001D09D02 Preparation, kinetics, thermodynamics, mechanism and catalysts / 001D09D02B Polymerization
- Discipline
- Physical chemistry of polymers
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 13745251
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
10.1021/ja012144z 
https://dx.doi.org/10.1021/ja012144z
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