Abstract. Quantum mechanical tunneling can strongly influence chemical reactivity, yet its experimental identification remains limited. Here we derive a ne

Quantum mechanical tunneling can strongly influence chemical reactivity, yet experimental diagnostics for tunneling contributions remain limited. Here we derive a new diagnostic principle, identifying ratedriving force relationship as a general ...

We show that London dispersion does more than lower reaction barriers: it reshapes how barriers respond to thermodynamic driving forces. By separating intrinsic reactivity from thermodynamic effects, ...

Garcia-Padilla and Maseras computationally investigate the origin of the selectivity switch in the reaction of fullerene with cyanides in solution and under ball-milling conditions. The concentration ...

How to accelerate a reaction has been a critical question in physical organic chemistry, eliciting multiple models describing the interplay between kinetics and thermodynamic driving forces. However, ...

Progress in chemistry has primarily been framed through inductive processes, leading to the frequent emergence of exceptions and unexpected reactivities. These anomalies─ranging from surprising reacti...