✦ LIBER ✦

First Principles Molecular Dynamics Study of Ziegler−Natta Heterogeneous Catalysis

✍ Scribed by Boero, Mauro; Parrinello, Michele; Terakura, Kiyoyuki

Book ID: 124077074
Publisher: American Chemical Society
Year: 1998
Tongue: English
Weight: 142 KB
Volume: 120
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja972367i

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First Principles Study of Propene Polyme

First Principles Study of Propene Polymerization in Ziegler−Natta Heterogeneous Catalysis

✍ Boero, Mauro; Parrinello, Michele; Hüffer, Stephan; Weiss, Horst 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 178 KB

Ziegler–Natta heterogeneous catalysis by

Ziegler–Natta heterogeneous catalysis by first principles computer experiments

✍ M. Boero; M. Parrinello; K. Terakura 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 308 KB

A First Principles Exploration of a Vari

A First Principles Exploration of a Variety of Active Surfaces and Catalytic Sites in Ziegler−Natta Heterogeneous Catalysis

✍ Boero, Mauro; Parrinello, Michele; Weiss, Horst; Hüffer, Stephan 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 508 KB

Kinetic study of the heterogeneous polym

Kinetic study of the heterogeneous polymerization of styrene and/or α-d-styrene by ziegler-natta catalysis

✍ Overberger, C. G. ;Jarovitzky, Peter A. 📂 Article 📅 2007 🏛 Wiley (John Wiley & Sons) ⚖ 634 KB

Theoretical Consideration of the Externa

Theoretical Consideration of the External Donor of Heterogeneous Ziegler–Natta Catalysts Using Molecular Mechanics, Molecular Dynamics, and QSAR Analysis

✍ Shigeru Yao; Yasuhiro Tanaka 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 117 KB 👁 2 views

[Studies in Surface Science and Catalysi

[Studies in Surface Science and Catalysis] Volume 89 || 10. The Control of Molecular Weight Distributions in Ziegler-Natta Catalysis

✍ Spitz, R. 📂 Article 📅 1994 🏛 Elsevier 🌐 English ⚖ 650 KB

Recent development of olefin polymerization catalysts has caused marked changes in both industrial and academic research. Industrial use of homogeneous metallocene catalysts has already begun in the fields of high density polyethylene and syndiotactic polypropylene. Moreover, important data have bee