A Dynamical Density Functional Study on the Reaction of Ethylene with Cp2Zr(C2H5)+
- 1 January 1996
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 118 (18) , 4434-4441
- https://doi.org/10.1021/ja953510f
Abstract
No abstract availableThis publication has 41 references indexed in Scilit:
- Ab Initio Molecular Dynamics Study of Metallocene-Catalyzed Ethylene PolymerizationJournal of the American Chemical Society, 1994
- Ethylene insertion in the homogeneous Ziegler-Natta catalysis: an ab initio investigation on a correlated levelJournal of the American Chemical Society, 1994
- A Density Functional Study of Chain Growing and Chain Terminating Steps in Olefin Polymerization by Metallocene and Constrained Geometry CatalystsOrganometallics, 1994
- Finite-temperature characterization of ferrocene from first-principles molecular dynamics simulationsThe Journal of Chemical Physics, 1994
- Theoretical Studies of Ziegler-Natta Catalysis: Structural Variations and Tacticity ControlJournal of the American Chemical Society, 1994
- An ab initio MO and MM study of homogeneous olefin polymerization with silylene-bridged zirconocene catalyst and its regio- and stereoselectivityJournal of the American Chemical Society, 1992
- Ziegler-Natta catalysis. A theoretical study of the isotactic polymerization of propyleneJournal of the American Chemical Society, 1992
- An ab initio MO study on ethylene and propylene insertion into the titanium-methyl bond in CH3TiCl2+ as a model of homogeneous olefin polymerizationJournal of the American Chemical Society, 1992
- Ziegler–Natta catalysis: an alternative mechanism involving metallacyclesJournal of the Chemical Society, Chemical Communications, 1980
- A theoretical investigation of Ziegler-type catalysis. Part I. Soluble catalyst systemsJ. Chem. Soc., Dalton Trans., 1972