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

Calculation of electric field gradients in Cd (II) complexes

Webinar 3: Excitation energy calculations with (nearly) exact Kohn-Sham potentials

Multiscale Modelling of Transition Metal Carbides

Webinar 2: Discovering the uniqueness of hydrogen bonding with the Energy Decomposition Analysis

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

Reductive Coupling of Nitric Oxide by Cu(I)

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