N‐Heterocyclic carbene (NHC) catalysis is a by now consolidated organocatalytic platform
for a number of synthetic (asymmetric) transformations via diverse reaction …

The generation of carbon radicals by halogen-atom and group transfer reactions is generally
achieved using tin and silicon reagents that maximize the interplay of enthalpic …

N-Heterocyclic carbenes (NHCs) have been widely explored in the areas of catalysis,
organometallic and medicinal chemistry. In particular, NHCs catalyze the formation of C–C …

We present here a new example of chemical reactivity governed by quantum tunneling,
which also highlights the limitations of the classical theories. The syn and anti conformers of …

Under aprotic conditions, the stoichiometric reaction of N‐heterocyclic carbenes (NHCs)
such as imidazolidin‐2‐ylidenes with aldehydes affords Breslow Intermediates (BIs) …

Recent quantum chemical computations demonstrated the electron-acceptance behavior of
this highly reactive cyclo [18] carbon (C18) ring with piperidine (pip). The C18–pip …

In the last 15 years, copper-catalyzed borylative transformations utilizing boryl–copper have
been established as a powerful activation mode in organic synthesis and catalysis, enabling …

The role of quantum tunnelling (QT) in the proton transfer kinetics of the uranyl
tetrahydroxide (UTH,[UO2 (OH) 4] 2−) cis to trans isomerization was computationally studied …

In this study, we provide a theoretical explanation for the experimentally observed decrease
in the organocatalytic activity of N-aryl imidazolylidenes methylated at the C4/5-H positions …

The intramolecular Stetter reaction catalyzed by a carbene is investigated by density
functional theory (DFT) calculations and kinetic simulations. Catalyst 1 first reacts with …