Monoligated palladium (0) species, L1Pd (0), have emerged as the most active catalytic
species in the cross-coupling cycle. Today, there are methods available to generate the …

The field of predictive chemistry relates to the development of models able to describe how
molecules interact and react. It encompasses the long-standing task of computer-aided …

Multi-metal oxides in general and perovskite oxides in particular have attracted considerable
attention as oxygen evolution electrocatalysts. Although numerous theoretical studies have …

Autonomous process optimization involves the human intervention-free exploration of a
range process parameters to improve responses such as product yield and selectivity …

Owing to the unknown correlation of a metal's ligand and its resulting preferred speciation in
terms of oxidation state, geometry, and nuclearity, a rational design of multinuclear catalysts …

Optimization of the catalyst structure to simultaneously improve multiple reaction objectives
(eg, yield, enantioselectivity, and regioselectivity) remains a formidable challenge. Herein …

Models can codify our understanding of chemical reactivity and serve a useful purpose in
the development of new synthetic processes via, for example, evaluating hypothetical …

Ni/photoredox catalysis has emerged as a powerful platform for C (sp2)–C (sp3) bond
formation. While many of these methods typically employ aryl bromides as the C (sp2) …

The use of two or more metal catalysts in a reaction is a powerful synthetic strategy to access
complex targets efficiently and selectively from simple starting materials. While capable of …

Conspectus At the heart of synthetic chemistry is the holy grail of predictable catalyst design.
In particular, researchers involved in reaction development in asymmetric catalysis have …