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
✦ LIBER ✦
Measurement of H2′-C2′ and H3′-C3′ dipolar couplings in RNA molecules
✍ Scribed by Pramodh Vallurupalli; Peter B. Moore
- Book ID
- 110397671
- Publisher
- Springer Netherlands
- Year
- 2002
- Tongue
- English
- Weight
- 73 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0925-2738
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Ab initio molecular orbital theory using basis sets up to 6-311G\*\*, with electron correlation incorporated via configuration interaction calculations with single and double substitutions, has been used to study the structures and energies of the C,H, monocation and dication. In agreement with rece