The activation strain or distortion/interaction model is a tool to analyze activation barriers that
determine reaction rates. For bimolecular reactions, the activation energies are the sum of …

The advent of modern C–H functionalization chemistries has enabled medicinal chemists to
consider a synthetic strategy, late stage functionalization (LSF), which utilizes the C–H …

Comprehensive computational studies were carried out to explore the mechanisms of
enantioselective Cu/Pd and stereodivergent Cu/Ir dual-catalytic syntheses of α, α …

C− H functionalization represents a paradigm shift from the standard logic of organic
synthesis. Instead of focusing on orchestration of selective reactions at functional groups, the …

The field of organometallic catalysis has attracted considerable interest from both academia
and industry due to its broad applications in synthetic transformations. Pd, Ni, Rh, and Ir …

Ullmann-type C–N coupling reactions represent an important alternative to well-established
Pd-catalyzed approaches due to the differing reactivity and the lower cost of Cu. While the …

In the past decades, the iridium-catalyzed C–H bond borylation and other newly discovered
catalytic borylation reactions have received extensive research interests and developed into …

The use of noncovalent interactions to direct transition-metal catalysis is a potentially
powerful yet relatively underexplored strategy, with most investigations thus far focusing on …

Until recently, computational tools were mainly used to explain chemical reactions after
experimental results were obtained. With the rapid development of software and hardware …

The distortion/interaction model has been used to explain and predict reactivity in a variety
of reactions where more common explanations, such as steric and electronic factors, do not …