Controlling charge transfer to/from the Cu(111) surface through benzene functionalization

Char combustion modeled with ReaxFF

The First Dodecavalent Molybdenum Complex studied with ADF

ADF paper: Optimized Slater-type basis sets for the elements 1-118

Stable GaX2, InX2 and TlX2 radicals

Gold-Carbon Bonding in Gold-Alkynyl Complexes

Reactive cluster model of metallic glasses

Rational design of an argon-binding superelectrophilic anion

Intramolecular 6-electron photo-redox reactions

Highly accelerated strain-promoted azide-alkyne cycloadditions