The importance of the selective activation of alkanes for science and technology in the
forthcoming decades does not need to be explicitly pointed out in this thematic issue of …

The effects of spin changes on the efficiencies and product distributions of gas-phase ion–
molecule reactions are analyzed, and the examples discussed include metal-as well as non …

Reactions of neutral vanadium oxide clusters with small hydrocarbons, namely C2H6,
C2H4, and C2H2, are investigated by experiment and density functional theory (DFT) …

Vanadium oxides are employed as efficient oxidation catalysts in various processes such as
the oxidative dehydrogenation of propane and the formation of maleic anhydride from …

Density functional theory (B3LYP) is used to study elementary reaction steps of the selective
oxidation of propane to propene and further on to acrolein and acrylic acid, as well as of …

Iron oxide cluster cations, Fe n O m+, are produced by laser vaporization in a pulsed nozzle
cluster source and detected with time-of-flight mass spectrometry. The mass spectrum …

The oxidative dehydrogenation of propane and but-1-ene by V3O7+ is examined using
density functional theory. The mechanisms presented share crucial elementary steps with …

Evidence obtained by experiments in the gas phase and density functional theory
calculations indicates that differences in the CO binding energy to the transition metal site …

Ab initio and DFT calculations have been performed on a series of organometallic
compounds, according to the formula MCH n, where M= K, Ca, Sc, Ti, V, Cr, or Mn and n= 1 …

Transition metal oxide cations of the form M n O m+(M= Y, La) are produced by laser
vaporization in a pulsed nozzle source and detected with time-of-flight mass spectrometry …