A systematic quantum chemical investigat
✍
Mikhail Pykavy; Christoph Van Wüllen
📂
Article
📅
2007
🏛
John Wiley and Sons
🌐
English
⚖ 140 KB
## 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