Exploring Ti active sites in Ziegler-Natta catalysts through realistic-scale computer simulations with universal neural network potential-Reference-Cited by-同舟云学术

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Exploring Ti active sites in Ziegler-Natta catalysts through realistic-scale computer simulations with universal neural network potential

Published:2024-08 Issue: Volume:565 Page:114414
ISSN:2468-8231
Container-title:Molecular Catalysis
language:en
Short-container-title:Molecular Catalysis

Author:

Fushimi Masaki^ORCID,Damma Devaiah

Publisher

Elsevier BV

Reference50 articles.

1. Polypropylene handbook: polymerization, characterization, properties, Applications;Moore,1996

2. Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization;Bahri-Laleh;Prog. Polym. Sci.,2018

3. A systematic study on the effect of co-catalysts composition on the performance of Ziegler-Natta catalyst in ethylene/1-butene co-polymerizations;Masoori;Polymer (Guildf),2022

4. First principles molecular dynamics study of Ziegler-Natta heterogeneous catalysis;Boero;J. Am. Chem. Soc.,1998

5. Fundamental aspects of heterogeneous Ziegler–Natta olefin polymerization catalysis: an experimental and computational overview;Kumawat;Polym. Chem.,2020

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