A theoretical study of exothermic reactions
β Scribed by M. Baer; J.A. Beswick
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 789 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Semiempirical MO calculations are shown to provide a more detailed picture of the radical ion mechanism of the Barbier reaction in the general case. Calculated electron affinities give a clue for its extension to other cases. Halides CHs-X nC3H7.X (I!!)CHs-CH=CH-X
The hydration reaction of ethylene, C 2 H 4 + H 2 O β C 2 H 5 OH, catalyzed by oxoacids (H 3 PO 4 , H 2 SO 4 , and HClO 4 ) and metal cations (B 3+ , Al 3+ , Sc 3+ , Ga 3+ , La 3+ , Be 2+ , Mg 2+ , Ca 2+ , Zn 2+ , and Sr 2+ ) are studied systematically by density functional theory with a BLYP functi