Modification of zeolites by multi-charged cations by the use of in-situ formed “active gas-phase species”
✍ Scribed by A.V. Kucherov; T.N. Kucherova; A.A. Slinkin
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 194 KB
- Volume
- 26
- Category
- Article
- ISSN
- 1387-1811
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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
COMMUNICATIONS 0.90 -0.80 -0.70 -0.60 -940.8 (3) A' , z = I , p =1.630 gcm-'. p = 2.032 mm-', crystal size 0.20 x 0.20 x 0.40 mm, F(000) = 480.0; 5531 unique reflections and 5468 assumed as observed with 1>2u(l). 268 parameters, R(F,) = 0.0461. R,IF,I\* = 0.1025 and S = 0.966. Crystallographic data