From Mechanistic Investigation to Quantitative Prediction
Author:
Publisher
Elsevier
Reference180 articles.
1. Ziegler-Natta catalysis I. Mechanism of polymerization of $alpha;-olefins with Ziegler-Natta catalysts*1
2. Ziegler-Natta catalysis III. Stereospecific polymerization of propene with the catalyst system TiCl3$z.sbnd;AlEt3
3. An efficient and near linear scaling pair natural orbital based local coupled cluster method
4. Natural triple excitations in local coupled cluster calculations with pair natural orbitals
5. Selectivity in Propene Polymerization with Metallocene Catalysts
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1. Predicting the propene stereoselectivity on transition metal catalysts: A daunting task for density functional theory;Journal of Computational Chemistry;2024-03-12
2. Selection of Low-Dimensional 3-D Geometric Descriptors for Accurate Enantioselectivity Prediction;ACS Catalysis;2022-05-31
3. Computational Insights into the Multisite Nature of the Phillips CrOx/SiO2 Catalyst for Ethylene Polymerization: The Perspective of Chromasiloxane Ring Size and F Modification;ACS Catalysis;2022-03-07
4. Connecting Gas-Phase Computational Chemistry to Condensed Phase Kinetic Modeling: The State-of-the-Art;Polymers;2021-09-07
5. Hafnium vs. Zirconium, the Perpetual Battle for Supremacy in Catalytic Olefin Polymerization: A Simple Matter of Electrophilicity?;Polymers;2021-08-06
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