Towards the online computer-aided design of catalytic pockets

L Falivene, Z Cao, A Petta, L Serra, A Poater, R Oliva… - Nature Chemistry, 2019 - nature.com
The engineering of catalysts with desirable properties can be accelerated by computer-
aided design. To achieve this aim, features of molecular catalysts can be condensed into …

% V Bur index and steric maps: from predictive catalysis to machine learning

S Escayola, N Bahri-Laleh, A Poater - Chemical Society Reviews, 2024 - pubs.rsc.org
Steric indices are parameters used in chemistry to describe the spatial arrangement of
atoms or groups of atoms in molecules. They are important in determining the reactivity …

Advances on controlled chain walking and suppression of chain transfer in catalytic olefin polymerization

Y Zhang, Y Zhang, X Hu, C Wang, Z Jian - ACS Catalysis, 2022 - ACS Publications
Precise synthesis of the complex polymer structure has been long-sought. In the late
transition-metal catalyzed olefin polymerization, chain walking and chain transfer are two …

Material properties of functional polyethylenes from transition-metal-catalyzed ethylene–polar monomer copolymerization

C Tan, C Zou, C Chen - Macromolecules, 2022 - ACS Publications
Polyethylenes enjoy wide applications due to their many superior properties. The
incorporation of some polar functional groups into the otherwise nonpolar polyethylene …

Emerging palladium and nickel catalysts for copolymerization of olefins with polar monomers

C Tan, C Chen - Angewandte Chemie, 2019 - Wiley Online Library
Transition‐metal‐catalyzed copolymerization of olefins with polar monomers represents a
challenge because of the large variety of substrate‐induced side reactions. However, this …

Recent advances in nickel mediated copolymerization of olefin with polar monomers

H Mu, G Zhou, X Hu, Z Jian - Coordination Chemistry Reviews, 2021 - Elsevier
The preparation of well-defined functionalized polyolefins via coordination-insertion
polymerization method is a hot topic in polymer science. Late transition organometallic …

A continuing legend: the Brookhart-type α-diimine nickel and palladium catalysts

F Wang, C Chen - Polymer Chemistry, 2019 - pubs.rsc.org
The Brookhart-type α-diimine nickel and palladium catalysts are one of the most examined
systems in the field of olefin polymerization. Even after more than twenty years of extensive …

Recent trends in catalytic polymerizations

DJ Walsh, MG Hyatt, SA Miller, D Guironnet - ACS Catalysis, 2019 - ACS Publications
Polymers have become one of the largest and most important materials we use in daily life.
Their popularity has stemmed from their wide range of material properties combined with …

C− H functionalization of commodity polymers

JB Williamson, SE Lewis, RR Johnson III… - Angewandte Chemie …, 2019 - Wiley Online Library
Synthetic manipulation of polymer substrates is one of the oldest and most reliable methods
to increase the functional diversity of soft materials. Modifying the chemical structure of …

Ultrahigh branching of main‐chain‐functionalized polyethylenes by inverted insertion selectivity

Y Zhang, C Wang, S Mecking, Z Jian - Angewandte Chemie, 2020 - Wiley Online Library
Branched polyolefin microstructures resulting from so‐called “chain walking” are a
fascinating feature of late transition metal catalysts; however, to date it has not been …