Interactions of small nickel clusters with methane molecules
β Scribed by A. V. Golovkin; D. I. Davlyatshin; L. V. Serebrennikov
- Book ID
- 110184763
- Publisher
- International Academic Publishing Co (Nauka/Interperiodica)
- Year
- 2009
- Tongue
- English
- Weight
- 131 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0036-0244
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π SIMILAR VOLUMES
## Abstract Potentialβenergy curves for CH~4~Β·CH~4~ have been calculated using the SCF LCAO MO method. Six different mutual orientations of the molecules have been considered and several basis sets have been employed. An analytical potential has been fitted to the computed energy values and used in
The geometries and relative energies of small clusters of water molecules, (HzO), with 4 < n G 8, are reported. For each value of n we have considered the conformations corresponding to the lowest-energy minimum and those in nearby relative minima. Thus we report on six tetramers, four pentamers, si