Interfacial reactions are notoriously difficult to characterize, and robust prediction of the
chemical evolution and associated functionality of the resulting surface film is one of the …

CpXRh (III)-catalyzed C–H functionalization reactions are a proven method for the efficient
assembly of small molecules. However, rationalization of the effects of cyclopentadienyl …

Terminal and bridging end-on coordination of N2 to transition metal complexes offer
possibilities for distinct pathways in ammonia synthesis and N2 functionalization. Here we …

Carbon dioxide reduction reaction (CO2RR) is a promising method for converting CO2 into
value-added products. CO2RR over single-atom catalysts (SACs) is widely known to result …

The increasing number of examples on cooperative dual catalysis involving organocatalysts
and transition metal catalysts indicate their wider acceptance and utility in synthetic …

The predictive ability of density functional theory is fundamental to its usefulness in chemical
applications. Recent work has compared solution-phase enthalpies of activation for metal …

This work probed the thermal “switchability” from ethylene coordination/insertion to
controlled radical polymerization of methyl acrylate (MA) for Brookhart-type α-diimine PdII …

Selective decarbonylation of p-nitrophenol esters of fatty acids to the corresponding linear α-
olefins (LAOs) was achieved using palladium catalysis. After extensive ligand screening, a …

The heat flow curves of nitrocellulose (NC)‐based propellants are now an important
assessment quantity for their quality and safety in storage and service. The measurable heat …

We recently proposed a transition-state model for asymmetric propargylic substitution
reactions of propargylic alcohols catalyzed by optically active thiolate-bridged diruthenium …