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 …

Bare vanadium-oxide and-hydroxide cluster cations (V m O n H o+, m= 2− 4, n= 1− 10, o= 0,
1) were generated by electrospray ionization in order to examine their intrinsic reactivity …

The reactions of neutral vanadium oxide clusters with alkenes (ethylene, propylene, 1-
butene, and 1, 3-butadiene) are investigated by experiments and density function theory …

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 …

The oxidation of small alkanes by the vanadium oxide cation VO2+ in the gas phase has
been studied by Fourier transform ion-cyclotron resonance mass spectrometry (FTICR-MS) …

The molecular mechanisms of the reaction VO2+ (1A1/3A '')+ C2H6 (1Ag) to yield V (OH)
2+(1Σ+/3Σ-)+ C2H4 (1Ag) and/or VO+ (1Δ/3Σ)+ H2O (1A1)+ C2H4 (1Ag) have been …