Theoretical study of the Diels-Alder reaction
✍ Scribed by Luke A. Burke; Georges Leroy; Michel Sana
- Publisher
- Springer
- Year
- 1975
- Tongue
- English
- Weight
- 371 KB
- Volume
- 40
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
## Abstract DFT calculations at the B3LYP/6‐311+G(d,p) level for the C, H, and O atoms and at the 6‐311+G(2df,p) level for the S atom were used to study the hetero‐Diels–Alder reactions between several α‐oxothiones and ethylene or methyl vinyl ether (MVE). All the transition states and the intermed
## Abstract The polar Diels–Alder reactions of nitrosoalkenes with enamines have been studied using DFT methods at the B3LYP/6‐31G\* level of theory. These Diels–Alder reactions are characterized by a nucleophilic attack of the enamine at the conjugated position of the nitrosoalkene with concomitan