Hosts with an affinity towards specifically charged guest species are crucial for combating a variety of diseases. Synthetic supramolecular structures are designed to bind to either cations or anions. The pore of a macrocycle may...
Triple bonded A≡A’ 10-valence electrons (VE) main-group diatomics, such as N2, CO, CN- and NO+, have a strong σ2π4 triple bond plus a lone pair at each end. Adding four more valence electrons, as in...
In a recent Nature Communications paper, extensive bonding analysis is used to dispute a previous claim on the nature of the Li-C chemical bond. This work involved Prof. Jordi Poater of the IQTCUB institute of...
Metal-metal bonding is a classic research topic in chemical bonding studies and has been applied as a tool for developing molecular magnets as well as for addressing challenges in biology, energy, and catalysis. In particular,...
Many chemistry textbooks assume the unlimited validity of a simplified Periodic Law of Elements. In Nature, the chemical periodicity of the elements results from the large energy gaps between the atomic core and valence shells...
In this video tip of the week we’ll show how you can now use spin-orbit in combination with GW-BSE calculations for most accurate excitation energies. See also our GW-BSE tutorial.
We are thrilled to announce that Dr. Arno Förster, our collaborator and Assistant Professor at the Vrije Universiteit Amsterdam, has been awarded the prestigious Dick Stufkens Prize 2023 for his outstanding contributions to the field...
The GW method is a state-of-the-art approach for the calculation of the electronic structure of molecules and can be used to calculate ionization potentials (IP) and electron affinities (EA) with high accuracy. The presence of heavy...
Determining the self-assembly of polyoxometalates in solution still represents a major challenge, due to the multiple variables (e.g., concentration, pH, ionic strength, temperature, counterions) that govern the formation of the final product. Hitherto, the only...
The recordings of the AMS2023 spring webinar series are now all available on our YouTube channel The AMS2023 Release: New Features Presented by Matti Hellström, SCM (Slides). Discovering the uniqueness of hydrogen bonding with the...