Recently, the Pd–Au alloy catalyst has been developed for the hydrosilylation of internal alkynes as well as α,β-unsaturated ketones under mild conditions. In this work, the mechanism of the hydrosily
The theoretical study of the magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands is discussed on the basis of DFT calculations. Large negative spin den
We employed the density functional theory to investigate the interaction of H2O with Zn2GeO4 surfaces, considering both perfect and defective surfaces. The results revealed that the interaction of H2O
