Static and ab Initio Molecular Dynamics Study of the Titanium(IV)-Constrained Geometry Catalyst (CpSiH2NH)Ti-R+. 2. Chain Termination and Long Chain Branching-Reference-Cited by-同舟云学术

Static and ab Initio Molecular Dynamics Study of the Titanium(IV)-Constrained Geometry Catalyst (CpSiH2NH)Ti-R+. 2. Chain Termination and Long Chain Branching

Published:1997-07-01 Issue:15 Volume:16 Page:3454-3468
ISSN:0276-7333
Container-title:Organometallics
language:en
Short-container-title:Organometallics

Author:

Woo Tom K.¹,Margl Peter M.¹,Ziegler Tom¹,Blöchl Peter E.²

Affiliation:

1. Department of Chemistry, University of Calgary, 2500 University Drive, Northwest, Calgary, Alberta, Canada T2N 1N4

2. IBM Research Division, Säumerstrasse 4, CH-8803 Rüschlikon, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/om970126d

Reference55 articles.

1. Bivariate chain length and long chain branching distribution for copolymerization of olefins and polyolefin chains containing terminal double-bonds

2. Combined Static and Dynamic Density Functional Study of the Ti(IV) Constrained Geometry Catalyst (CpSiH2NH)TiR+. 1. Resting States and Chain Propagation

Cited by 133 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Insights into ultrasound-promoted degradation of naphthenic acid compounds in oil sands process affected water. Part II: In silico quantum screening of hydroxyl radical initiated and propagated degradation of benzoic acid;Ultrasonics Sonochemistry;2022-04

2. Ab initio molecular dynamics with enhanced sampling in heterogeneous catalysis;Catalysis Science & Technology;2022

3. Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations;ACS Catalysis;2020-07-16

4. Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis;Journal of Chemical Theory and Computation;2020-05-22

5. Relationship Between Energy Landscape Shape and Dynamics Trajectory Outcomes for Methane C–H Activation by Cationic Cp*(PMe3)Ir/Rh/Co(CH3);Organometallics;2020-04-08