A Density Functional Embedded Cluster Study of Proposed Active Sites in Heterogeneous Ziegler−Natta Catalysts
- 30 August 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in Macromolecules
- Vol. 35 (20) , 7815-7829
- https://doi.org/10.1021/ma0204554
Abstract
No abstract availableKeywords
This publication has 57 references indexed in Scilit:
- A First Principles Exploration of a Variety of Active Surfaces and Catalytic Sites in Ziegler−Natta Heterogeneous CatalysisThe Journal of Physical Chemistry A, 2001
- Ethylene polymerization reactions with Ziegler-Natta catalysts. I. Ethylene polymerization kinetics and kinetic mechanismJournal of Polymer Science Part A: Polymer Chemistry, 1999
- First Principles Molecular Dynamics Study of Ziegler−Natta Heterogeneous CatalysisJournal of the American Chemical Society, 1998
- Mechanisms of Propagation and Termination Reactions in Classical Heterogeneous Ziegler−Natta Catalytic Systems: A Nonlocal Density Functional StudyJournal of the American Chemical Society, 1998
- Polymerization of olefins through heterogeneous catalysis. XVII. Experimental study and model interpretation of some aspects of olefin polymerization over a TiCl4/MgCl2 catalystJournal of Applied Polymer Science, 1997
- Ab Initio Studies on the Ziegler-Natta Polymerization Reaction Mechanisms. The Role of CocatalysisThe Journal of Physical Chemistry, 1994
- Why Is .beta.-Me Elimination Only Observed in d0 Early-Transition-Metal Complexes? An Organometallic Hyperconjugation Effect with Consequences for the Termination Step in Ziegler-Natta CatalysisOrganometallics, 1994
- Magnesium chloride supported catalysts for olefin polymerization. XIX. Titanium oxidation states, catalyst deactivation, and active site structureJournal of Polymer Science Part A: Polymer Chemistry, 1989
- Electron spin resonance, titanium oxidation state, and ethylene polymerization studies of a model supported Ziegler-Natta catalyst. Spectroscopic detection of titanium tetrachlorideMacromolecules, 1987
- Reaction model for Ziegler-Natta polymerization processesPolymer, 1978