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The ability of the vanadium phosphorus oxide (VPO) catalyst to selectively activate n-butane and then perform subsequent selective oxidation to maleic anhydride was investigated using electronic structure calculations. Both active site cluster models and periodic surface models, including explicit consideration of surface relaxation and hydration, led to the same qualitative conclusions about the...
The simple, and inexpensive process, of recrystallizing KF from a methanol solution by slow evaporation of the solvent, followed by drying at 100 °C, results in a highly active form of KF. The surface area was increased 20 fold by this process. This pre-treated KF proved to be considerably more efficient as a source of fluoride ion than untreated KF in the conversion of 2,4-dichloronitrobenzene...
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