ReaxFF – Analyze surface reactions

Tutorial: Battery Discharge Voltages with Grand Canonical Monte Carlo / ReaxFF

Tips & tricks for finding transition states, bonding analysis

Tutorial: Li-ion diffusion coefficients with ReaxFF

Covalent Bonding in Heavy Actinides

A general Pd-catalyzed pathway to β-lactams

Spin Orbit Coupling effect on spin-forbidden reaction mechanisms

H2 production by PAH gasification

Counterion effect in NHC-gold(I)-catalyzed alkoxylation

Highly accelerated strain-promoted azide-alkyne cycloadditions