Electronic structure and magneto-structural correlation study of Cu2UL

Work functions at interfaces with BAND (video tip of the week, new tutorial)

New tutorial: Chemical Vapor Deposition / Atomic Layer Deposition with ReaxFF

Systems Inorganics: Finding a Needle in a Haystack

Insights into the instabilities of halide perovskite with ReaxFF

Is Metallophilicity Really Attractive?

Tips & tricks: faster PES and TS searches

Palladium makes PVC industry greener

Double hybrids: recommendations for accurate thermochemistry & kinetics

Activating Bonds: Rational Design of Iron-Based Catalysts for Cross-Coupling