An Ab Initio Study of C2H2.H2, C2H2.N2, and C2H2.Ar Complexes
β Scribed by Anne-Marie Sapse; Christine Pinto; Duli C. Jain
- Book ID
- 110272841
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 83 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1040-7278
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
New high-level quantum chemical calculations have been undertaken to understand the rates and mechanisms of the reactive and associative channels for the reactants C2H2(+) + H2. The reactive channel, which produces C2H3(+) + H, has been shown to be slightly endothermic, confirming earlier calculatio
Ab initio MO calculations have been performed for neutral and cationic CzHzFz structures. Olefinic and carbene structures are investigated for the neutral isomers, while olefinic, carbene, and fluoronium-type cations are found. Stability orders and rotational barriers are discussed in terms of orbit