Developers Tomáš Trnka (ReaxFF) and Nick Austin (COSMO-RS) join SCM

A general Pd-catalyzed pathway to β-lactams

Spin Orbit Coupling effect on spin-forbidden reaction mechanisms

Promoters in Fischer-Tropsch catalysis

Periodic energy decomposition analysis

Surface activation of MAO

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

Highly accelerated strain-promoted azide-alkyne cycloadditions

Relativistic and dispersion effects on O2 activation by metallic nanoparticles

Zeolite-catalyzed hydrolysis: DFT/DFTB calculations