Page
%P
-
Article
Mechanism of oxygen transfer from the vanadium(V) complexes with ligands O2 2− and O3 2−
The oxygen transfer from the vanadium(V) complexes containing peroxo, oxo, and ozonide ligands to electron-donating substrates (ethylene and vinyl methyl ether) was studied in the framework of the DFT with the...
-
Article
The reaction energies of ethylene, CO, and N2 with proton, hydrogen atom, and hydride ion
It is shown by quantum chemical simulation (MP2/aug-cc-pVTZ) that the energy of addition of H+, H·, and H− decreases in the order ethylene, CO, and N2. The energies of additions of CF4, dimethyl ether, and BF3 to...