Toward quantitative prediction of stereospecificity of metallocene-based catalysts for α-olefin polymerization

被引：161

作者：

Angermund, K ^{[1
]}

Fink, G ^{[1
]}

Jensen, VR ^{[1
]}

Kleinschmidt, R ^{[1
]}

机构：

[1] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany

来源：

CHEMICAL REVIEWS | 2000年 / 100卷 / 04期

关键词：

D O I：

10.1021/cr990373m

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Research contributions which are closely related to the modeling of stereospecificity for metallocene-based α-olefin polymerization in the homogeneous phase, a field dating back to the late 1980s, are reviewed. Particular emphasis is placed on recent, partially published, efforts based on schemes combining quantum mechanics (QM) and molecular mechanics (MM), which attempt a more accurate prediction of the polymer microstructure.

引用

页码：1457 / 1470

页数：14

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