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Alkane Oxidation by VO2+ in the Gas Phase: A Unique Dependence of Reactivity on the Chain Length

✍ Scribed by Engeser, Marianne; Schlangen, Maria; Schröder, Detlef; Schwarz, Helmut; Yumura, Takashi; Yoshizawa, Kazunari


Book ID
111867791
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
244 KB
Volume
22
Category
Article
ISSN
0276-7333

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## Abstract The interaction between a methane molecule and the VO^+^ cation in the gas phase has been investigated by means of single reference density functional (B3LYP) and wave function‐based multireference (MR) correlation calculations. For the latter, an extrapolation technique is used to eval