Chemical reactions are ubiquitous in the universe, they are at the core of life, and they are
essential for industrial processes. The drive for a deep understanding of how something …

Conspectus Bioorthogonal chemistry has had a major impact on the study of biological
processes in vivo. Biomolecules of interest can be tracked by using probes and reporters …

The reactions of eight tetrazines of increased electrophilic character with nucleophilic
tetramethyl ethylene (TME) and with electrophilic tetracyanoethylene (TCE) have been …

A judiciously oriented external electric field (OEEF) can catalyze a wide range of reactions
and can even induce endo/exo stereoselectivity of cycloaddition reactions. The Diels–Alder …

Pericyclases are an emerging family of enzymes catalyzing pericyclic reactions. A class of
lipocalin-like enzymes recently characterized as Diels–Alderases (DAses) catalyze decalin …

The reactivities of 2‐butyne, cycloheptyne, cyclooctyne, and cyclononyne in the 1, 3‐dipolar
cycloaddition reaction with methyl azide were evaluated through DFT calculations at the …

Better catalysts are needed to address numerous challenges faced by humanity. In this
Perspective, we review concepts and tools in theoretical and computational chemistry that …

The strain‐promoted alkyne‐azide cycloaddition (SPAAC) is the most commonly employed
bioorthogonal reaction with applications in a broad range of fields. Over the years, several …

The reactivities and π-facial stereoselectivities of Diels–Alder reactions of 5-substituted
cyclopentadienes were studied using density functional theory. Burnell and co-workers …

DFT calculations have been carried out to explore the competing mechanisms and origin of
selectivities of chiral phosphoric acid (CPA)-catalyzed Friedel-Crafts-like reaction of ketene …