Application of machine learning (ML) to the prediction of reaction activation barriers is a new
and exciting field for these algorithms. The works covered here are specifically those in …

Noncovalent interactions are of utmost importance. However, their accurate treatment is still
difficult. This is partially induced by the coexistence of many types of interactions and …

Photochemical dearomative cycloaddition has emerged as a useful strategy to rapidly
generate molecular complexity. Within this context, stereo-and regiocontrolled …

The advent of biocatalysts designed computationally and optimized by laboratory evolution
provides an opportunity to explore molecular strategies for augmenting catalytic function …

Accurate prediction of chemical reactions in solution is challenging for current state-of-the-
art approaches based on transition state modelling with density functional theory. Models …

We suggest a scale of dispersion energy donors (DEDs) that allows for direct comparisons
with steric effects. This scale is based on the classic A-values and allows groups to reorient …

Abstract The well‐known Corey–Bakshi–Shibata (CBS) reduction is a powerful method for
the asymmetric synthesis of alcohols from prochiral ketones, often featuring high yields and …

Aromaticity is a fundamental concept in chemistry, underpinning the properties and reactivity
of many organic compounds and materials. The ability to easily and accurately discern …

The chemical sciences are witnessing an influx of statistics into the catalysis literature.
These developments are propelled by modern technological advancements that are leading …

Supramolecular capsules are desirable containers for the study of molecular behavior in
small spaces and offer applications in transport, catalysis, and material science. We report …