Molecular Orbital and IMOMM Studies of the Chain Transfer Mechanisms of the Diimine−M(II)-Catalyzed (M = Ni, Pd) Ethylene Polymerization Reaction
- 1 April 1998
- journal article
- Published by American Chemical Society (ACS) in Organometallics
- Vol. 17 (9) , 1850-1860
- https://doi.org/10.1021/om9711032
Abstract
No abstract availableKeywords
This publication has 48 references indexed in Scilit:
- Theoretical Study of Substituent Effects in the Diimine−M(II) Catalyzed Ethylene Polymerization Reaction Using the IMOMM MethodJournal of the American Chemical Society, 1998
- Theoretical Studies of Ethylene Polymerization Reactions Catalyzed by Zirconium and Titanium Chelating Alkoxide ComplexesJournal of the American Chemical Society, 1997
- Comparison between CASPT2 and DFT in the Study of Ni(C2H4)2 ComplexesThe Journal of Physical Chemistry A, 1997
- Theoretical Study of Ethylene Oligomerization by an Organometallic Nickel CatalystInorganic Chemistry, 1996
- Analytical Second Derivatives for Effective Core Potential. Application to Transition Structures of Cp2Ru2(μ-H)4 and to the Mechanism of Reaction Cu + CH2N2The Journal of Physical Chemistry, 1996
- On the accuracy of gradient corrected density functional methods for transition metal complexesThe Journal of Chemical Physics, 1995
- Ziegler-Natta catalysts for olefin polymerization: Mechanistic insights from metallocene systemsProgress in Polymer Science, 1995
- Experimental and Theoretical Studies of Gold(I) Complexes Au(L)+ (L = H2O, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6)Organometallics, 1995
- Successive Binding Energies of Fe(CO)5+The Journal of Physical Chemistry, 1994
- Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsThe Journal of Chemical Physics, 1985