DFT Studies on Substituent Effects in Palladium-Catalyzed Olefin Polymerization
- 7 April 2000
- journal article
- Published by American Chemical Society (ACS) in Organometallics
- Vol. 19 (10) , 1850-1858
- https://doi.org/10.1021/om990910t
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Roothaan-Hartree-Fock-Slater atomic wave functions: Single-zeta, double-zeta, and extended Slater-type basis sets for 87Fr-103LrPublished by Elsevier ,2004
- Monomer Capture in Brookhart's Ni(II) Diimine Olefin Polymerization Catalyst: Static and Dynamic Quantum Mechanics/Molecular Mechanics StudyThe Journal of Physical Chemistry A, 1999
- Palladium-Catalyzed Polymerization of Propene: DFT Model StudiesOrganometallics, 1999
- The Search for New-Generation Olefin Polymerization Catalysts: Life beyond MetallocenesAngewandte Chemie International Edition in English, 1999
- A Unified View of Ethylene Polymerization by d0 and d0fn Transition Metals. 3. Termination of the Growing Polymer ChainJournal of the American Chemical Society, 1998
- Computer Design of Living Olefin Polymerization Catalysts: A Combined Density Functional Theory and Molecular Mechanics StudyOrganometallics, 1998
- Molecular Orbital and IMOMM Studies of the Chain Transfer Mechanisms of the Diimine−M(II)-Catalyzed (M = Ni, Pd) Ethylene Polymerization ReactionOrganometallics, 1998
- Theoretical Study of Substituent Effects in the Diimine−M(II) Catalyzed Ethylene Polymerization Reaction Using the IMOMM MethodJournal of the American Chemical Society, 1998
- Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gasPhysical Review B, 1986
- Density-functional approximation for the correlation energy of the inhomogeneous electron gasPhysical Review B, 1986