Improving Hydrogen Evolution by Mn Doping MoS2 Nanosheets: DFT QTAIM analysis

10- and 14-Valence-Electron Triple Bond Systems: Isoelectronic Families Differing By a dδ4 Ring

Actinide-Lanthanide bonding unraveled

Relativistic effects boost the termination of the classic periodic law of chemistry for the heavy elements

Singlet-Triplet (S0 – T1) gap with spin-orbit qs-GW-Bethe−Salpeter Equation (video tip of the week)

Large-Scale spin-orbit coupled GW-Bethe-Salpeter equation calculations in AMS

L-Edge X-Ray spectrum NEXAFS (video and new tutorial)

Reductive Coupling of Nitric Oxide by Cu(I)

XPS: Predicting core Ionization Potentials with ADF (video tip of the week, new tutorial)

Electronic structure and magneto-structural correlation study of Cu2UL