3D-QSAR analysis of metallocene-based catalysts used in ethylene polymerisation
- 1 March 2004
- Vol. 45 (6) , 2061-2072
- https://doi.org/10.1016/j.polymer.2003.12.059
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- Theoretical Study on the Factors Controlling the Accessibility of Cationic Metal Centers in Zirconocene Polymerization CatalystsMacromolecules, 2000
- Effect of the Nature of Metallocene Complexes of Group IV Metals on Their Performance in Catalytic Ethylene and Propylene PolymerizationChemical Reviews, 2000
- Consideration of an activity of the metallocene catalyst by using molecular mechanics, molecular dynamics and QSARComputational and Theoretical Polymer Science, 1999
- Theoretical Study of Substituent Effects in the Diimine−M(II) Catalyzed Ethylene Polymerization Reaction Using the IMOMM MethodJournal of the American Chemical Society, 1998
- 3D-QSAR: a current perspectiveTrends in Pharmacological Sciences, 1995
- Quantification of the influence of steric and electronic parameters on the ethylene polymerisation activity of (CpR)2ZrCl2/ethylaluminoxane Ziegler—Natta catalystsJournal of Molecular Catalysis, 1992
- Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)Journal of Chemometrics, 1992
- Molecular graphics and QSAR in the study of enzyme-ligand interactions. On the definition of bioreceptorsAccounts of Chemical Research, 1986
- Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsThe Journal of Chemical Physics, 1985
- The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized InversesSIAM Journal on Scientific and Statistical Computing, 1984