Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …

Ligands, especially phosphines and carbenes, can play a key role in modifying and
controlling homogeneous organometallic catalysts, and they often provide a convenient …

The design of molecular catalysts typically involves reconciling multiple conflicting property
requirements, largely relying on human intuition and local structural searches. However, the …

Although machine learning bears enormous potential to accelerate developments in
homogeneous catalysis, the frequent need for extensive experimental data can be a …

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 …

The scarcity of complex intermediates in pharmaceutical research motivates the pursuit of
reaction optimization protocols on submilligram scales. We report here the development of …

The recent synergy of machine learning (ML) with molecular synthesis has emerged as an
increasingly powerful platform in organic synthesis and catalysis. This merger has set the …

The mechanistic foundation behind the identity of a phosphine ligand that best promotes a
desired reaction outcome is often non-intuitive, and thus has been addressed in numerous …

Despite the enormous potential for the use of stereospecific cross-coupling reactions to
rationally manipulate the three-dimensional structure of organic molecules, the factors that …

Although asymmetric catalysis is universally dependent on spatial interactions to impart
specific chirality on a given substrate, examination of steric effects in these catalytic systems …