Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity

CH Suresh, GS Remya… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
The molecular electrostatic potential (MESP) V (r) data derived from a reliable quantum
chemical method has been widely used for the interpretation and prediction of various …

Polymer engineering based on reversible covalent chemistry: A promising innovative pathway towards new materials and new functionalities

ZP Zhang, MZ Rong, MQ Zhang - Progress in Polymer Science, 2018 - Elsevier
Reversible covalent polymers are able to change their bond arrangement and structure via
reversible reaction triggered by external stimuli including heating, light and pH, while …

Elastic vitrimers: Beyond thermoplastic and thermoset elastomers

J Luo, Z Demchuk, X Zhao, T Saito, M Tian, AP Sokolov… - Matter, 2022 - cell.com
Thermoset elastomers are widely used in industry and frontier research due to their
advantage of mechanical robustness, high thermal/chemical resistance, and good …

Neighboring group participation and internal catalysis effects on exchangeable covalent bonds: application to the thriving field of vitrimer chemistry

F Cuminet, S Caillol, É Dantras, E Leclerc… - …, 2021 - ACS Publications
Vitrimers constitute a fascinating class of polymer materials that make the link between the
historically opposed 3D networks (thermosets) and linear polymers (thermoplastics). Their …

Tailored modular assembly derived self-healing polythioureas with largely tunable properties covering plastics, elastomers and fibers

YM Li, ZP Zhang, MZ Rong, MQ Zhang - Nature communications, 2022 - nature.com
To impart self-healing polymers largely adjustable dynamicity and mechanical performance,
here we develop libraries of catalyst-free reversible polythioureas directly from commodity 1 …

Photoswitchable Imines Drive Dynamic Covalent Systems to Nonequilibrium Steady States

J Wu, JL Greenfield - Journal of the American Chemical Society, 2024 - ACS Publications
Coupling a photochemical reaction to a thermal exchange process can drive the latter to a
nonequilibrium steady state (NESS) under photoirradiation. Typically, systems use separate …

Mechanisms of imine exchange reactions in organic solvents

M Ciaccia, S Di Stefano - Organic & biomolecular chemistry, 2015 - pubs.rsc.org
The state of the art in the mechanisms operating in imine chemistry in organic solvents is
critically discussed in the present review. In particular, the reaction pathways involved in …

Catalytic isofunctional reactions—expanding the repertoire of shuttle and metathesis reactions

BN Bhawal, B Morandi - Angewandte Chemie International …, 2019 - Wiley Online Library
Transfer hydrogenation, alkene metathesis, and alkyne metathesis possess great value to
the synthetic chemistry community. One of the key features of these processes is their …

Enantiodivergent fluorination of allylic alcohols: data set design reveals structural interplay between achiral directing group and chiral anion

AJ Neel, A Milo, MS Sigman… - Journal of the American …, 2016 - ACS Publications
Enantioselectivity values represent relative rate measurements that are sensitive to the
structural features of the substrates and catalysts interacting to produce them. Therefore …

Mechanistic Inference from Statistical Models at Different Data-Size Regimes

DM Lustosa, A Milo - ACS Catalysis, 2022 - ACS Publications
The chemical sciences are witnessing an influx of statistics into the catalysis literature.
These developments are propelled by modern technological advancements that are leading …